N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine

C15H30N2 — CID 113441989

IUPACN-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine
SMILESCCC1CCCCCN1C(CC)CNC1CC1
InChIInChI=1S/C15H30N2/c1-3-14-8-6-5-7-11-17(14)15(4-2)12-16-13-9-10-13/h13-16H,3-12H2,1-2H3
InChIKeyDCJFQPXLTPERDW-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.17
Rot. Bonds6

About N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine

N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine (PubChem CID 113441989) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine
PubChem CID113441989
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine
SMILESCCC1CCCCCN1C(CC)CNC1CC1
InChIInChI=1S/C15H30N2/c1-3-14-8-6-5-7-11-17(14)15(4-2)12-16-13-9-10-13/h13-16H,3-12H2,1-2H3
InChIKeyDCJFQPXLTPERDW-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(azocan-1-yl)butyl]cyclopropanamine
CID 62419227
N-[2-(2-ethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103225163
N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79408489
N-methyl-2-(2-propylpiperidin-1-yl)butan-1-amine
CID 83061692
3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide
CID 43266529
2-(2-ethylazepan-1-yl)-N,3-dimethylbutan-1-amine
CID 104692341
N-propyl-2-(2-propylpiperidin-1-yl)butan-1-amine
CID 83062092
N-[2-(2-ethylazepan-1-yl)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103227231
3-amino-2-(2-ethylpiperidin-1-yl)propan-1-ol
CID 104710817
3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine
CID 104689505
N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine
CID 65287005
N-[2-(2,3,5-trimethylpiperidin-1-yl)butyl]cyclopropanamine
CID 114597059

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine (CID 113441989) is N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine is CCC1CCCCCN1C(CC)CNC1CC1.
What is the InChIKey of N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine?
The InChIKey is DCJFQPXLTPERDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-14-8-6-5-7-11-17(14)15(4-2)12-16-13-9-10-13/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine?
N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine has a molecular weight of 238.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 113441989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).