N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine

C9H18N2 — CID 116680425

IUPACN-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine
SMILESCC1(NCCC2CNC2)CC1
InChIInChI=1S/C9H18N2/c1-9(3-4-9)11-5-2-8-6-10-7-8/h8,10-11H,2-7H2,1H3
InChIKeyLPQORCJXPRMRKM-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.74
Rot. Bonds4

About N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine

N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine (PubChem CID 116680425) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine
PubChem CID116680425
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine
SMILESCC1(NCCC2CNC2)CC1
InChIInChI=1S/C9H18N2/c1-9(3-4-9)11-5-2-8-6-10-7-8/h8,10-11H,2-7H2,1H3
InChIKeyLPQORCJXPRMRKM-UHFFFAOYSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Tert-butylazetidin-3-yl)-2-fluoroethanamine
CID 105435909
N-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106219255
N-[2-(azetidin-3-yl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106219256
N-(cyclopropylmethyl)-2,3-dimethylbutan-2-amine
CID 11321454
Tert-butyl(cyclopropylmethyl)amine
CID 20752805
N-methyl-1-(1-propan-2-ylazetidin-3-yl)ethanamine
CID 22896253
N-(cyclopropylmethyl)-2-methylbutan-2-amine
CID 43560245
N-(azetidin-3-ylmethyl)-2-methylpropan-2-amine
CID 57617651
N-(3-methylbutyl)azetidin-3-amine
CID 65959071
4-(azetidin-1-yl)-N-ethyl-3-methylbutan-2-amine
CID 67810832
2-[2-(azetidin-1-yl)cyclopropyl]-N-methylethanamine
CID 67813591
4-(azetidin-1-yl)-N,3-dimethylbutan-2-amine
CID 67814656

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine (CID 116680425) is N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine is CC1(NCCC2CNC2)CC1.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine?
The InChIKey is LPQORCJXPRMRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(3-4-9)11-5-2-8-6-10-7-8/h8,10-11H,2-7H2,1H3.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine?
N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine has a molecular weight of 154.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine is sourced from PubChem (CID 116680425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).