1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine

C17H35N — CID 115834392

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

About 1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine

1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine (PubChem CID 115834392) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine
PubChem CID115834392
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine
SMILESCCCCC1CCC(C(CCC(C)C)NC)CC1
InChIInChI=1S/C17H35N/c1-5-6-7-15-9-11-16(12-10-15)17(18-4)13-8-14(2)3/h14-18H,5-13H2,1-4H3
InChIKeyJWFSUYOKFYWOJY-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-butylcyclohexyl)-N-methylhex-5-yn-1-amine
CID 105033925
1-(4-butylcyclohexyl)-N-methylhex-5-en-1-amine
CID 104986932
N-methyl-1-(4-propylcyclohexyl)heptan-1-amine
CID 65423768
N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
1-(4-butylcyclohexyl)-N-methylethanamine
CID 115780857
4-methyl-N-propyl-1-(4-propylcyclohexyl)pentan-1-amine
CID 65424745
N,5-dimethyl-1-(4-methylcyclohexyl)hexan-1-amine
CID 83161350
N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine
CID 65425541
2-cyclopropyl-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65423192
N-methyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 62604529
1-(4-butylcyclohexyl)-N-ethylpropan-1-amine
CID 114979356
1-(4-tert-butylcyclohexyl)-N-methylpentan-1-amine
CID 65402958

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine (CID 115834392) is 1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine is CCCCC1CCC(C(CCC(C)C)NC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine?
The InChIKey is JWFSUYOKFYWOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-5-6-7-15-9-11-16(12-10-15)17(18-4)13-8-14(2)3/h14-18H,5-13H2,1-4H3.
What are the key properties of 1-(4-butylcyclohexyl)-N,4-dimethylpentan-1-amine?
1-(4-butylcyclohexyl)-N,4-dimethylpentan-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)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 115834392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).