N-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide

C19H26N2O — CID 20836691

IUPACN-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide
SMILESC[C@H]1[C@H]2Cc3ccc(NC=O)cc3[C@]1(C)CCN2CC1CC1
InChIInChI=1S/C19H26N2O/c1-13-18-9-15-5-6-16(20-12-22)10-17(15)19(13,2)7-8-21(18)11-14-3-4-14/h5-6,10,12-14,18H,3-4,7-9,11H2,1-2H3,(H,20,22)/t13-,18+,19+/m0/s1
InChIKeyGRERSJXDCJKLDU-MJXNMMHHSA-N
MW298.43 g/mol
LogP3.19
Rot. Bonds4

About N-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide

N-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide (PubChem CID 20836691) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide.

Molecular Properties

Compound NameN-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide
PubChem CID20836691
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide
SMILESC[C@H]1[C@H]2Cc3ccc(NC=O)cc3[C@]1(C)CCN2CC1CC1
InChIInChI=1S/C19H26N2O/c1-13-18-9-15-5-6-16(20-12-22)10-17(15)19(13,2)7-8-21(18)11-14-3-4-14/h5-6,10,12-14,18H,3-4,7-9,11H2,1-2H3,(H,20,22)/t13-,18+,19+/m0/s1
InChIKeyGRERSJXDCJKLDU-MJXNMMHHSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide with MolForge

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Related Compounds

3-Aminocyclorphan
CID 11392313
[(1R,9R,10R)-17-(cyclopropylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]urea
CID 44429062
N-Benzyl-17-(cyclopropylmethyl)morphinan-3-amine
CID 44627790
17-(Cyclopropylmethyl)-N-phenylmorphinan-3-amine
CID 44627900
3-methylurea-N-cyclobutylmethylmorphinan
CID 44429064
N-[(1R,9R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide
CID 23519701
N-[(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide
CID 44300216
[(1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]urea
CID 44429063
1-[(1R,9R,10R)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl]-3-methylurea
CID 44429065
N-Benzyl-17-(cyclobutylmethyl)morphinan-3-amine
CID 44627901
N-[10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide
CID 6420605
Benzyl-(3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-yl)-amine
CID 10473705

Frequently Asked Questions

What is the IUPAC name of N-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide?
The IUPAC name of N-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide (CID 20836691) is N-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide.
What is the SMILES notation for N-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide?
The canonical SMILES for N-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide is C[C@H]1[C@H]2Cc3ccc(NC=O)cc3[C@]1(C)CCN2CC1CC1.
What is the InChIKey of N-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide?
The InChIKey is GRERSJXDCJKLDU-MJXNMMHHSA-N. The full InChI is InChI=1S/C19H26N2O/c1-13-18-9-15-5-6-16(20-12-22)10-17(15)19(13,2)7-8-21(18)11-14-3-4-14/h5-6,10,12-14,18H,3-4,7-9,11H2,1-2H3,(H,20,22)/t13-,18+,19+/m0/s1.
What are the key properties of N-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide?
N-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide has a molecular weight of 298.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]formamide is sourced from PubChem (CID 20836691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).