N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine

C15H30N2 — CID 65287005

IUPACN-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)N1CCCC(C)(C)CC1
InChIInChI=1S/C15H30N2/c1-4-14(12-16-13-6-7-13)17-10-5-8-15(2,3)9-11-17/h13-14,16H,4-12H2,1-3H3
InChIKeyHWKCENIEJWVHRU-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds5

About N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine

N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine (PubChem CID 65287005) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine
PubChem CID65287005
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)N1CCCC(C)(C)CC1
InChIInChI=1S/C15H30N2/c1-4-14(12-16-13-6-7-13)17-10-5-8-15(2,3)9-11-17/h13-14,16H,4-12H2,1-3H3
InChIKeyHWKCENIEJWVHRU-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(azocan-1-yl)butyl]cyclopropanamine
CID 62419227
N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine
CID 79408659
N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine
CID 65286954
N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine
CID 62430618
N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 83054777
N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine
CID 62778203
N-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103226957
N-[2-(2-ethylmorpholin-4-yl)butyl]cyclopropanamine
CID 62431717
N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine
CID 113441989
N-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-methoxypropyl]cyclopropanamine
CID 107456388
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine
CID 62419457
3-(4,4-dimethylpiperidin-1-yl)pentanenitrile
CID 62935700

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine (CID 65287005) is N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine is CCC(CNC1CC1)N1CCCC(C)(C)CC1.
What is the InChIKey of N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine?
The InChIKey is HWKCENIEJWVHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-14(12-16-13-6-7-13)17-10-5-8-15(2,3)9-11-17/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine?
N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 65287005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).