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

C14H28N2 — CID 62419227

IUPACN-[2-(azocan-1-yl)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)N1CCCCCCC1
InChIInChI=1S/C14H28N2/c1-2-14(12-15-13-8-9-13)16-10-6-4-3-5-7-11-16/h13-15H,2-12H2,1H3
InChIKeySFIKZPSLCJIBHL-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.78
Rot. Bonds5

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

N-[2-(azocan-1-yl)butyl]cyclopropanamine (PubChem CID 62419227) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[2-(azocan-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(azocan-1-yl)butyl]cyclopropanamine
PubChem CID62419227
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[2-(azocan-1-yl)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)N1CCCCCCC1
InChIInChI=1S/C14H28N2/c1-2-14(12-15-13-8-9-13)16-10-6-4-3-5-7-11-16/h13-15H,2-12H2,1H3
InChIKeySFIKZPSLCJIBHL-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine
CID 65287005
N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine
CID 113441989
N-[2-(1-oxo-1,4-thiazinan-4-yl)butyl]cyclopropanamine
CID 62430618
N-[2-[4-(2-methylpropyl)piperazin-1-yl]butyl]cyclopropanamine
CID 62778203
N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]butyl]cyclopropanamine
CID 62419457
N-[2-(azocan-1-yl)propyl]cyclopentanamine
CID 62558696
2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62437423
N-[2-(2-ethylmorpholin-4-yl)butyl]cyclopropanamine
CID 62431717
N-(1-cyclopropylpropyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 115709211
N-(1-cyclopropylpropan-2-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 115709200
N-[2-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
CID 83043627

Frequently Asked Questions

What is the IUPAC name of N-[2-(azocan-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[2-(azocan-1-yl)butyl]cyclopropanamine (CID 62419227) is N-[2-(azocan-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(azocan-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(azocan-1-yl)butyl]cyclopropanamine is CCC(CNC1CC1)N1CCCCCCC1.
What is the InChIKey of N-[2-(azocan-1-yl)butyl]cyclopropanamine?
The InChIKey is SFIKZPSLCJIBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-14(12-15-13-8-9-13)16-10-6-4-3-5-7-11-16/h13-15H,2-12H2,1H3.
What are the key properties of N-[2-(azocan-1-yl)butyl]cyclopropanamine?
N-[2-(azocan-1-yl)butyl]cyclopropanamine has a molecular weight of 224.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azocan-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 62419227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).