1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine

C17H35N — CID 114978751

IUPAC1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCCC1CCC(C(NCCC)C(C)C)CC1
InChIInChI=1S/C17H35N/c1-5-7-8-15-9-11-16(12-10-15)17(14(3)4)18-13-6-2/h14-18H,5-13H2,1-4H3
InChIKeyGMUGJRAAWTUOHO-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds8

About 1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine

1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 114978751) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine
PubChem CID114978751
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCCC1CCC(C(NCCC)C(C)C)CC1
InChIInChI=1S/C17H35N/c1-5-7-8-15-9-11-16(12-10-15)17(14(3)4)18-13-6-2/h14-18H,5-13H2,1-4H3
InChIKeyGMUGJRAAWTUOHO-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylcyclohexyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 104990778
2-methyl-1-(oxan-4-yl)-N-propylpropan-1-amine
CID 63935267
N-[(4-butylcyclohexyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855953
1-(4-butylcyclohexyl)-N-methylethanamine
CID 115780857
1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004175
1-(4-ethylcyclohexyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720650
1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine
CID 104987009
1-(4-butylcyclohexyl)-2-methylpentan-1-ol
CID 114013662
1-cyclopropyl-2-ethyl-N-propylhexan-1-amine
CID 104994116
1-(4-butylcyclohexyl)-N-ethylpropan-1-amine
CID 114979356
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
N-(1-cyclopropyl-2-methylpropyl)-5,5,5-trifluoropentan-1-amine
CID 115895750

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine (CID 114978751) is 1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine is CCCCC1CCC(C(NCCC)C(C)C)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is GMUGJRAAWTUOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-7-8-15-9-11-16(12-10-15)17(14(3)4)18-13-6-2/h14-18H,5-13H2,1-4H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine?
1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 114978751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).