2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine

C18H31N3 — CID 62608925

IUPAC2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN(CC)Cc2ccncc2)C1
InChIInChI=1S/C18H31N3/c1-3-5-15-6-7-18(19)17(12-15)14-21(4-2)13-16-8-10-20-11-9-16/h8-11,15,17-18H,3-7,12-14,19H2,1-2H3
InChIKeyVLNIISSCPFUIKS-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.45
Rot. Bonds7

About 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine

2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine (PubChem CID 62608925) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine
PubChem CID62608925
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CN(CC)Cc2ccncc2)C1
InChIInChI=1S/C18H31N3/c1-3-5-15-6-7-18(19)17(12-15)14-21(4-2)13-16-8-10-20-11-9-16/h8-11,15,17-18H,3-7,12-14,19H2,1-2H3
InChIKeyVLNIISSCPFUIKS-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine (CID 62608925) is 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(CN(CC)Cc2ccncc2)C1.
What is the InChIKey of 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine?
The InChIKey is VLNIISSCPFUIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-5-15-6-7-18(19)17(12-15)14-21(4-2)13-16-8-10-20-11-9-16/h8-11,15,17-18H,3-7,12-14,19H2,1-2H3.
What are the key properties of 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine?
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 62608925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).