N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine

C16H29N3 — CID 64738270

IUPACN-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnn(C2CCC(C)C(C)C2)c1
InChIInChI=1S/C16H29N3/c1-5-8-17-14(4)15-10-18-19(11-15)16-7-6-12(2)13(3)9-16/h10-14,16-17H,5-9H2,1-4H3
InChIKeyNGGFSDSCVJQZCW-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.94
Rot. Bonds5

About N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine

N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine (PubChem CID 64738270) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine
PubChem CID64738270
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnn(C2CCC(C)C(C)C2)c1
InChIInChI=1S/C16H29N3/c1-5-8-17-14(4)15-10-18-19(11-15)16-7-6-12(2)13(3)9-16/h10-14,16-17H,5-9H2,1-4H3
InChIKeyNGGFSDSCVJQZCW-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine (CID 64738270) is N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1cnn(C2CCC(C)C(C)C2)c1.
What is the InChIKey of N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine?
The InChIKey is NGGFSDSCVJQZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-8-17-14(4)15-10-18-19(11-15)16-7-6-12(2)13(3)9-16/h10-14,16-17H,5-9H2,1-4H3.
What are the key properties of N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine?
N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 64738270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).