N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine

C17H34N2 — CID 62261563

IUPACN-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)CN1CCCCCCC1
InChIInChI=1S/C17H34N2/c1-3-11-17(2,14-18-16-9-10-16)15-19-12-7-5-4-6-8-13-19/h16,18H,3-15H2,1-2H3
InChIKeyBQTVUININSARJX-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds7

About N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine

N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine (PubChem CID 62261563) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine
PubChem CID62261563
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)CN1CCCCCCC1
InChIInChI=1S/C17H34N2/c1-3-11-17(2,14-18-16-9-10-16)15-19-12-7-5-4-6-8-13-19/h16,18H,3-15H2,1-2H3
InChIKeyBQTVUININSARJX-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-2-(1,4-thiazepan-4-ylmethyl)pentyl]cyclopropanamine
CID 62259536
2-(azepan-1-ylmethyl)-N,2-dimethylpentan-1-amine
CID 62262452
N-[2-[(3-ethylpyrrolidin-1-yl)methyl]-2-methylpentyl]cyclopropanamine
CID 113418855
N-(2,2-dimethyl-3-piperidin-1-ylpropyl)cyclopropanamine
CID 62262081
N-[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-2-methylpentyl]cyclopropanamine
CID 102728269
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 82751638
N-[2-(1,3-dihydroisoindol-2-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62256349
2-methyl-N-(2-methylpropyl)-2-(piperidin-1-ylmethyl)pentan-1-amine
CID 62264125
N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 65281916
N-[2-methyl-2-(thiomorpholin-4-ylmethyl)butyl]cyclopropanamine
CID 62262514
N-[2-methyl-2-[(3-methylpiperidin-1-yl)methyl]butyl]cyclopropanamine
CID 62262258
N-[2-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]pentyl]cyclopropanamine
CID 79933854

Frequently Asked Questions

What is the IUPAC name of N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine?
The IUPAC name of N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine (CID 62261563) is N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine is CCCC(C)(CNC1CC1)CN1CCCCCCC1.
What is the InChIKey of N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine?
The InChIKey is BQTVUININSARJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-11-17(2,14-18-16-9-10-16)15-19-12-7-5-4-6-8-13-19/h16,18H,3-15H2,1-2H3.
What are the key properties of N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine?
N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine is sourced from PubChem (CID 62261563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).