N-octan-4-yl-4-propylcyclohexan-1-amine

C17H35N — CID 114138056

IUPACN-octan-4-yl-4-propylcyclohexan-1-amine
SMILESCCCCC(CCC)NC1CCC(CCC)CC1
InChIInChI=1S/C17H35N/c1-4-7-10-16(9-6-3)18-17-13-11-15(8-5-2)12-14-17/h15-18H,4-14H2,1-3H3
InChIKeyKERLVBNGWPZVHS-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.29
Rot. Bonds9

About N-octan-4-yl-4-propylcyclohexan-1-amine

N-octan-4-yl-4-propylcyclohexan-1-amine (PubChem CID 114138056) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-octan-4-yl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-octan-4-yl-4-propylcyclohexan-1-amine
PubChem CID114138056
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-octan-4-yl-4-propylcyclohexan-1-amine
SMILESCCCCC(CCC)NC1CCC(CCC)CC1
InChIInChI=1S/C17H35N/c1-4-7-10-16(9-6-3)18-17-13-11-15(8-5-2)12-14-17/h15-18H,4-14H2,1-3H3
InChIKeyKERLVBNGWPZVHS-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-N-octan-4-ylpiperidin-4-amine
CID 103776296
N-octan-4-yl-1,1-dioxothian-4-amine
CID 106023054
N-decan-4-ylcyclohexanamine
CID 175237913
(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol
CID 28724606
N-hexan-3-ylcyclopropanamine
CID 103920845
1-methyl-N-octan-4-ylazepan-4-amine
CID 113340340
N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43672319
N-(2-ethylhexyl)-4-propylcyclohexan-1-amine
CID 43080495
1,4-dipropylcyclohexane;pentane
CID 90867354
N-octan-4-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 106023449
N-octan-4-yl-1-propan-2-ylpyrrolidin-3-amine
CID 103781482
N-butyl-4-propylcyclohexan-1-amine
CID 43080052

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-4-propylcyclohexan-1-amine?
The IUPAC name of N-octan-4-yl-4-propylcyclohexan-1-amine (CID 114138056) is N-octan-4-yl-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-octan-4-yl-4-propylcyclohexan-1-amine?
The canonical SMILES for N-octan-4-yl-4-propylcyclohexan-1-amine is CCCCC(CCC)NC1CCC(CCC)CC1.
What is the InChIKey of N-octan-4-yl-4-propylcyclohexan-1-amine?
The InChIKey is KERLVBNGWPZVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-4-7-10-16(9-6-3)18-17-13-11-15(8-5-2)12-14-17/h15-18H,4-14H2,1-3H3.
What are the key properties of N-octan-4-yl-4-propylcyclohexan-1-amine?
N-octan-4-yl-4-propylcyclohexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 114138056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).