1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine

C19H33N5 — CID 97386809

IUPAC1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@@H]1C[C@@H]2CN(Cc3nccn3C)CC[C@@H]2N1CC1CC1
InChIInChI=1S/C19H33N5/c1-21(2)13-17-10-16-12-23(14-19-20-7-9-22(19)3)8-6-18(16)24(17)11-15-4-5-15/h7,9,15-18H,4-6,8,10-14H2,1-3H3/t16-,17+,18+/m1/s1
InChIKeyDSHJFQUYJYESKH-SQNIBIBYSA-N
MW331.51 g/mol
LogP1.66
Rot. Bonds6

About 1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine

1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine (PubChem CID 97386809) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
PubChem CID97386809
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@@H]1C[C@@H]2CN(Cc3nccn3C)CC[C@@H]2N1CC1CC1
InChIInChI=1S/C19H33N5/c1-21(2)13-17-10-16-12-23(14-19-20-7-9-22(19)3)8-6-18(16)24(17)11-15-4-5-15/h7,9,15-18H,4-6,8,10-14H2,1-3H3/t16-,17+,18+/m1/s1
InChIKeyDSHJFQUYJYESKH-SQNIBIBYSA-N
XLogP1.66
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine (CID 97386809) is 1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine is CN(C)C[C@@H]1C[C@@H]2CN(Cc3nccn3C)CC[C@@H]2N1CC1CC1.
What is the InChIKey of 1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is DSHJFQUYJYESKH-SQNIBIBYSA-N. The full InChI is InChI=1S/C19H33N5/c1-21(2)13-17-10-16-12-23(14-19-20-7-9-22(19)3)8-6-18(16)24(17)11-15-4-5-15/h7,9,15-18H,4-6,8,10-14H2,1-3H3/t16-,17+,18+/m1/s1.
What are the key properties of 1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine?
1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 331.51 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3aR,7aS)-1-(cyclopropylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 97386809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).