N-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine

C16H33N — CID 83050598

IUPACN-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine
SMILESCCCNC(CCC)C1CCC(C)(C)CC1C
InChIInChI=1S/C16H33N/c1-6-8-15(17-11-7-2)14-9-10-16(4,5)12-13(14)3/h13-15,17H,6-12H2,1-5H3
InChIKeyQSYUBISDZJDRTD-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds6

About N-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine

N-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine (PubChem CID 83050598) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine
PubChem CID83050598
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine
SMILESCCCNC(CCC)C1CCC(C)(C)CC1C
InChIInChI=1S/C16H33N/c1-6-8-15(17-11-7-2)14-9-10-16(4,5)12-13(14)3/h13-15,17H,6-12H2,1-5H3
InChIKeyQSYUBISDZJDRTD-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butan-2-yl-1,1,3-trimethylcyclohexane
CID 142412996
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine
CID 65390648
5,5,5-trifluoro-1-(2-methylcyclopentyl)-N-propylpentan-1-amine
CID 107190458
1-(3-methylcyclobutyl)-N-propylbutan-1-amine
CID 103565371
N-[(4,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 65391054
1-(2-methylcyclopropyl)-N-propylundecan-1-amine
CID 65419339
1-(4,4-dimethylcyclohexyl)oxy-N-propylpentan-2-amine
CID 114340871
1-(3-methyloxan-4-yl)-N-propylheptan-1-amine
CID 114241913
3-methyl-1-(2-methylcyclopentyl)-N-propylbut-3-en-1-amine
CID 107189757
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
1-(2,2-dimethylcyclopropyl)-3-methyl-N-propylhexan-1-amine
CID 107004333

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine?
The IUPAC name of N-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine (CID 83050598) is N-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine.
What is the SMILES notation for N-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine?
The canonical SMILES for N-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine is CCCNC(CCC)C1CCC(C)(C)CC1C.
What is the InChIKey of N-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine?
The InChIKey is QSYUBISDZJDRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-8-15(17-11-7-2)14-9-10-16(4,5)12-13(14)3/h13-15,17H,6-12H2,1-5H3.
What are the key properties of N-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine?
N-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(2,4,4-trimethylcyclohexyl)butan-1-amine is sourced from PubChem (CID 83050598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).