N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine

C17H26Cl2N2 — CID 79784078

IUPACN-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ncc(Cl)cc1Cl)C1CCC(CC)CC1
InChIInChI=1S/C17H26Cl2N2/c1-3-9-20-16(13-7-5-12(4-2)6-8-13)17-15(19)10-14(18)11-21-17/h10-13,16,20H,3-9H2,1-2H3
InChIKeyHOPJRWQROVUMTN-UHFFFAOYSA-N
MW329.32 g/mol
LogP5.65
Rot. Bonds6

About N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine

N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine (PubChem CID 79784078) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
PubChem CID79784078
Molecular FormulaC17H26Cl2N2
Molecular Weight329.32 g/mol
Exact Mass328.15
IUPAC NameN-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ncc(Cl)cc1Cl)C1CCC(CC)CC1
InChIInChI=1S/C17H26Cl2N2/c1-3-9-20-16(13-7-5-12(4-2)6-8-13)17-15(19)10-14(18)11-21-17/h10-13,16,20H,3-9H2,1-2H3
InChIKeyHOPJRWQROVUMTN-UHFFFAOYSA-N
XLogP5.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.32
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine 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 N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine (CID 79784078) is N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ncc(Cl)cc1Cl)C1CCC(CC)CC1.
What is the InChIKey of N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
The InChIKey is HOPJRWQROVUMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-3-9-20-16(13-7-5-12(4-2)6-8-13)17-15(19)10-14(18)11-21-17/h10-13,16,20H,3-9H2,1-2H3.
What are the key properties of N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine?
N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine has a molecular weight of 329.32 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-pyridinyl)-(4-ethylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 79784078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).