N-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine

C17H26N4 — CID 165033302

IUPACN-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCc1cc2c(NCC3CCC(N(C)C)CC3)nccc2[nH]1
InChIInChI=1S/C17H26N4/c1-12-10-15-16(20-12)8-9-18-17(15)19-11-13-4-6-14(7-5-13)21(2)3/h8-10,13-14,20H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyDMLUDJAFGLAKPH-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.40
Rot. Bonds4

About N-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine

N-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 165033302) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine
PubChem CID165033302
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCc1cc2c(NCC3CCC(N(C)C)CC3)nccc2[nH]1
InChIInChI=1S/C17H26N4/c1-12-10-15-16(20-12)8-9-18-17(15)19-11-13-4-6-14(7-5-13)21(2)3/h8-10,13-14,20H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyDMLUDJAFGLAKPH-UHFFFAOYSA-N
XLogP3.40
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine (CID 165033302) is N-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine is Cc1cc2c(NCC3CCC(N(C)C)CC3)nccc2[nH]1.
What is the InChIKey of N-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is DMLUDJAFGLAKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-12-10-15-16(20-12)8-9-18-17(15)19-11-13-4-6-14(7-5-13)21(2)3/h8-10,13-14,20H,4-7,11H2,1-3H3,(H,18,19).
What are the key properties of N-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine?
N-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 286.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)cyclohexyl]methyl]-2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 165033302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).