N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine

C19H32N2 — CID 104736387

IUPACN-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)C1CCC(CCC)CC1
InChIInChI=1S/C19H32N2/c1-3-6-16-8-10-18(11-9-16)19(21-12-4-2)14-17-7-5-13-20-15-17/h5,7,13,15-16,18-19,21H,3-4,6,8-12,14H2,1-2H3
InChIKeyFRYHQQXJSHSAFP-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.60
Rot. Bonds8

About N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine

N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine (PubChem CID 104736387) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
PubChem CID104736387
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)C1CCC(CCC)CC1
InChIInChI=1S/C19H32N2/c1-3-6-16-8-10-18(11-9-16)19(21-12-4-2)14-17-7-5-13-20-15-17/h5,7,13,15-16,18-19,21H,3-4,6,8-12,14H2,1-2H3
InChIKeyFRYHQQXJSHSAFP-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-ethylcyclohexyl)-2-pyridin-3-ylethanamine
CID 64776867
N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65425134
1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104736394
1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 105034440
N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034736
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine
CID 105034554
1,1,1-trifluoro-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 66468598
N-ethyl-1-(4-ethylcyclohexyl)-3-pyridin-3-ylpropan-1-amine
CID 105155347
N-[1-(4-ethylcyclohexyl)-2-(4-iodophenyl)ethyl]propan-1-amine
CID 65479388
N-[2-(4-chlorophenyl)-1-(4-ethylcyclohexyl)ethyl]propan-1-amine
CID 64775232
N-ethyl-1-(2-ethylcyclohexyl)-2-pyridin-3-ylethanamine
CID 63861666
1-cyclohexyl-N-propyl-4-pyridin-3-ylbutan-2-amine
CID 105135868

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine (CID 104736387) is N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1cccnc1)C1CCC(CCC)CC1.
What is the InChIKey of N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is FRYHQQXJSHSAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-3-6-16-8-10-18(11-9-16)19(21-12-4-2)14-17-7-5-13-20-15-17/h5,7,13,15-16,18-19,21H,3-4,6,8-12,14H2,1-2H3.
What are the key properties of N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine?
N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 104736387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).