(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene

C19H25N3 — CID 44591164

IUPAC(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene
SMILESC[C@H]1C2Cc3cc4[nH]cnc4cc3[C@@]1(C)CCN2CC1CC1
InChIInChI=1S/C19H25N3/c1-12-18-8-14-7-16-17(21-11-20-16)9-15(14)19(12,2)5-6-22(18)10-13-3-4-13/h7,9,11-13,18H,3-6,8,10H2,1-2H3,(H,20,21)/t12-,18?,19-/m0/s1
InChIKeyUOWGKJIQQSGDIA-NNZWLKQRSA-N
MW295.43 g/mol
LogP3.50
Rot. Bonds2

About (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene

(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene (PubChem CID 44591164) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene.

Molecular Properties

Compound Name(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene
PubChem CID44591164
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene
SMILESC[C@H]1C2Cc3cc4[nH]cnc4cc3[C@@]1(C)CCN2CC1CC1
InChIInChI=1S/C19H25N3/c1-12-18-8-14-7-16-17(21-11-20-16)9-15(14)19(12,2)5-6-22(18)10-13-3-4-13/h7,9,11-13,18H,3-6,8,10H2,1-2H3,(H,20,21)/t12-,18?,19-/m0/s1
InChIKeyUOWGKJIQQSGDIA-NNZWLKQRSA-N
XLogP3.50
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-Dimethylbenzimidazole
CID 675
NS-8593
CID 11587013
Varenicline Impurity C61
CID 9837582
Naphtho(2,3,4',5')imidazole
CID 160449
A-381393
CID 11301655
(1S,16R)-13-(cyclopropylmethyl)-1,6,16-trimethyl-5,7,13-triazatetracyclo[10.3.1.0^{2,10}.0^{4,8}]hexadeca-2,4(8),6,9-tetraene
CID 44591193
(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-4,6,13-triazatetracyclo[10.3.1.0^{2,10}.0^{3,7}]hexadeca-2,4,7,9-tetraene
CID 44591196
(1S,16R)-13-(cyclopropylmethyl)-1,5,16-trimethyl-4,6,13-triazatetracyclo[10.3.1.0^{2,10}.0^{3,7}]hexadeca-2,4,7,9-tetraene
CID 44591197
2-pyridin-2-yl-1H-benzo[f]benzimidazole
CID 1084688
1H-Benzimidazole, 5,6-dimethyl-1-(phenylmethyl)-2-(1-piperazinyl)-
CID 10734486
(1H-Benzoimidazol-2-yl)-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amine
CID 11601551
n-(Benzimidazol-2-yl)-4-methyl-1,2,3,4-tetrahydro-1-naphthylamine
CID 11601552

Frequently Asked Questions

What is the IUPAC name of (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene?
The IUPAC name of (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene (CID 44591164) is (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene.
What is the SMILES notation for (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene?
The canonical SMILES for (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene is C[C@H]1C2Cc3cc4[nH]cnc4cc3[C@@]1(C)CCN2CC1CC1.
What is the InChIKey of (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene?
The InChIKey is UOWGKJIQQSGDIA-NNZWLKQRSA-N. The full InChI is InChI=1S/C19H25N3/c1-12-18-8-14-7-16-17(21-11-20-16)9-15(14)19(12,2)5-6-22(18)10-13-3-4-13/h7,9,11-13,18H,3-6,8,10H2,1-2H3,(H,20,21)/t12-,18?,19-/m0/s1.
What are the key properties of (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene?
(1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene has a molecular weight of 295.43 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,16R)-13-(cyclopropylmethyl)-1,16-dimethyl-5,7,13-triazatetracyclo[10.3.1.02,10.04,8]hexadeca-2,4(8),5,9-tetraene is sourced from PubChem (CID 44591164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).