1-cyclopropyl-N-ethyl-4-propylheptan-3-amine

C15H31N — CID 104995154

IUPAC1-cyclopropyl-N-ethyl-4-propylheptan-3-amine
SMILESCCCC(CCC)C(CCC1CC1)NCC
InChIInChI=1S/C15H31N/c1-4-7-14(8-5-2)15(16-6-3)12-11-13-9-10-13/h13-16H,4-12H2,1-3H3
InChIKeyOKAYSCHJMGIAGS-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds10

About 1-cyclopropyl-N-ethyl-4-propylheptan-3-amine

1-cyclopropyl-N-ethyl-4-propylheptan-3-amine (PubChem CID 104995154) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-4-propylheptan-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-4-propylheptan-3-amine
PubChem CID104995154
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-cyclopropyl-N-ethyl-4-propylheptan-3-amine
SMILESCCCC(CCC)C(CCC1CC1)NCC
InChIInChI=1S/C15H31N/c1-4-7-14(8-5-2)15(16-6-3)12-11-13-9-10-13/h13-16H,4-12H2,1-3H3
InChIKeyOKAYSCHJMGIAGS-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-ethyl-3-propylhexan-2-amine
CID 104986528
1-cyclopentyl-N-ethyl-4-methylheptan-3-amine
CID 107893474
1-cyclopentyl-N,4-diethyloctan-3-amine
CID 114193299
1-cyclopropylheptane-3,4-diol
CID 103455036
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine
CID 79197921
3-cyclopropyl-N-ethyl-1-(2-methyloxolan-3-yl)propan-1-amine
CID 104995134
1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865
1-cyclohexyl-N-ethyl-3-methylhexan-2-amine
CID 115842188
4-cyclopropyl-N-ethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 105157672
N,5-diethylnonan-4-amine
CID 83051951
1-cyclopentyl-4,5-dimethyl-N-propylhexan-3-amine
CID 114193190

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-4-propylheptan-3-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-4-propylheptan-3-amine (CID 104995154) is 1-cyclopropyl-N-ethyl-4-propylheptan-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-4-propylheptan-3-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-4-propylheptan-3-amine is CCCC(CCC)C(CCC1CC1)NCC.
What is the InChIKey of 1-cyclopropyl-N-ethyl-4-propylheptan-3-amine?
The InChIKey is OKAYSCHJMGIAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-7-14(8-5-2)15(16-6-3)12-11-13-9-10-13/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-ethyl-4-propylheptan-3-amine?
1-cyclopropyl-N-ethyl-4-propylheptan-3-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-4-propylheptan-3-amine is sourced from PubChem (CID 104995154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).