(1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine

C19H28N2 — CID 159173291

IUPAC(1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine
SMILESCN[C@H]1[C@H]2Cc3ccc(C)cc3[C@]1(C)CCN2CC1CC1
InChIInChI=1S/C19H28N2/c1-13-4-7-15-11-17-18(20-3)19(2,16(15)10-13)8-9-21(17)12-14-5-6-14/h4,7,10,14,17-18,20H,5-6,8-9,11-12H2,1-3H3/t17-,18+,19+/m1/s1
InChIKeyVNMCYHZFUKUKBD-QYZOEREBSA-N
MW284.45 g/mol
LogP2.88
Rot. Bonds3

About (1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine

(1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine (PubChem CID 159173291) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is (1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine.

Molecular Properties

Compound Name(1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine
PubChem CID159173291
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name(1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine
SMILESCN[C@H]1[C@H]2Cc3ccc(C)cc3[C@]1(C)CCN2CC1CC1
InChIInChI=1S/C19H28N2/c1-13-4-7-15-11-17-18(20-3)19(2,16(15)10-13)8-9-21(17)12-14-5-6-14/h4,7,10,14,17-18,20H,5-6,8-9,11-12H2,1-3H3/t17-,18+,19+/m1/s1
InChIKeyVNMCYHZFUKUKBD-QYZOEREBSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,9R,13S)-10-(cyclopropylmethyl)-4-methoxy-N,1-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine
CID 90122726
10-(cyclopropylmethyl)-1,4,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 59419615
(1R,9R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
CID 25087623
(9R,13S)-10-(cyclopropylmethyl)-1-methyl-13-(piperidin-4-ylmethylamino)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 140641080
(1S,9R,13S)-10-(cyclopropylmethyl)-1-methyl-13-(piperidin-4-ylmethylamino)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 90123198
(1R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 23986637
4-[[[(1R,13S)-10-(cyclopropylmethyl)-1,4-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-methylcarbamoyl]amino]benzamide
CID 90148818
(1S,9S,13S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylic acid
CID 101103736
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine
CID 59334291
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-4-piperidin-1-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;dihydrochloride
CID 45260329
(1S,9S,13S)-10-(cyclopropylmethyl)-1,13-dimethyl-N-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
CID 101000893
N-[(1R,9R,13S)-10-(cyclopropylmethyl)-4-hydroxy-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 90148807

Frequently Asked Questions

What is the IUPAC name of (1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine?
The IUPAC name of (1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine (CID 159173291) is (1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine.
What is the SMILES notation for (1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine?
The canonical SMILES for (1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine is CN[C@H]1[C@H]2Cc3ccc(C)cc3[C@]1(C)CCN2CC1CC1.
What is the InChIKey of (1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine?
The InChIKey is VNMCYHZFUKUKBD-QYZOEREBSA-N. The full InChI is InChI=1S/C19H28N2/c1-13-4-7-15-11-17-18(20-3)19(2,16(15)10-13)8-9-21(17)12-14-5-6-14/h4,7,10,14,17-18,20H,5-6,8-9,11-12H2,1-3H3/t17-,18+,19+/m1/s1.
What are the key properties of (1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine?
(1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine has a molecular weight of 284.45 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R,13R)-10-(cyclopropylmethyl)-N,1,4-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine is sourced from PubChem (CID 159173291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).