N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine

C15H31N — CID 63988910

IUPACN-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NC(C)CC1CC1
InChIInChI=1S/C15H31N/c1-11(2)8-15(9-12(3)4)16-13(5)10-14-6-7-14/h11-16H,6-10H2,1-5H3
InChIKeyKMBYAMPVZUUKSD-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.23
Rot. Bonds8

About N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine

N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine (PubChem CID 63988910) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine
PubChem CID63988910
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine
SMILESCC(C)CC(CC(C)C)NC(C)CC1CC1
InChIInChI=1S/C15H31N/c1-11(2)8-15(9-12(3)4)16-13(5)10-14-6-7-14/h11-16H,6-10H2,1-5H3
InChIKeyKMBYAMPVZUUKSD-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol
CID 115712084
2-N-(1-cyclopropylpropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115716711
2-N-(1-cyclobutylpropan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 115716709
2-(1-cyclopropylpropan-2-ylamino)butan-1-ol
CID 115705322
N-[(1S)-1-cyclopentylethyl]-2,6-dimethylheptan-4-amine
CID 81386842
1-cyclopropyl-4-methyl-N-propylpentan-2-amine
CID 64903821
N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine
CID 115723627
N-[(1S)-1-cyclohexylethyl]-2,6-dimethylheptan-4-amine
CID 81386949
N-(1-cyclobutylethyl)-1-cyclopropylpropan-2-amine
CID 115719713
N-butan-2-yl-2,6-dimethylheptan-4-amine
CID 43110369
[2-(cyclopropylmethyl)-4-methylpentyl]cyclobutane
CID 57222816
1-cyclopropyl-4-methylpentan-2-amine
CID 62753020

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine (CID 63988910) is N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine is CC(C)CC(CC(C)C)NC(C)CC1CC1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine?
The InChIKey is KMBYAMPVZUUKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-11(2)8-15(9-12(3)4)16-13(5)10-14-6-7-14/h11-16H,6-10H2,1-5H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine?
N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine has a molecular weight of 225.42 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine is sourced from PubChem (CID 63988910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).