(1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene

C18H25N — CID 23619290

IUPAC(1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESCC1[C@@H]2Cc3ccccc3[C@@]1(C)CCN2CC1CC1
InChIInChI=1S/C18H25N/c1-13-17-11-15-5-3-4-6-16(15)18(13,2)9-10-19(17)12-14-7-8-14/h3-6,13-14,17H,7-12H2,1-2H3/t13?,17-,18-/m0/s1
InChIKeySVKVWRTVTPUQBY-RHGDZWTLSA-N
MW255.41 g/mol
LogP3.62
Rot. Bonds2

About (1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene

(1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene (PubChem CID 23619290) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is (1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene.

Molecular Properties

Compound Name(1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
PubChem CID23619290
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name(1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
SMILESCC1[C@@H]2Cc3ccccc3[C@@]1(C)CCN2CC1CC1
InChIInChI=1S/C18H25N/c1-13-17-11-15-5-3-4-6-16(15)18(13,2)9-10-19(17)12-14-7-8-14/h3-6,13-14,17H,7-12H2,1-2H3/t13?,17-,18-/m0/s1
InChIKeySVKVWRTVTPUQBY-RHGDZWTLSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The IUPAC name of (1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene (CID 23619290) is (1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene.
What is the SMILES notation for (1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The canonical SMILES for (1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene is CC1[C@@H]2Cc3ccccc3[C@@]1(C)CCN2CC1CC1.
What is the InChIKey of (1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
The InChIKey is SVKVWRTVTPUQBY-RHGDZWTLSA-N. The full InChI is InChI=1S/C18H25N/c1-13-17-11-15-5-3-4-6-16(15)18(13,2)9-10-19(17)12-14-7-8-14/h3-6,13-14,17H,7-12H2,1-2H3/t13?,17-,18-/m0/s1.
What are the key properties of (1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene?
(1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene has a molecular weight of 255.41 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9S)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene is sourced from PubChem (CID 23619290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).