N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine

C11H22N2 — CID 116679936

IUPACN-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCC(C)=C1CNC1
InChIInChI=1S/C11H22N2/c1-4-9(2)5-12-6-10(3)11-7-13-8-11/h9,12-13H,4-8H2,1-3H3
InChIKeyABRPSZGZZFJBLU-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.54
Rot. Bonds5

About N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine

N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine (PubChem CID 116679936) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine
PubChem CID116679936
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCC(C)=C1CNC1
InChIInChI=1S/C11H22N2/c1-4-9(2)5-12-6-10(3)11-7-13-8-11/h9,12-13H,4-8H2,1-3H3
InChIKeyABRPSZGZZFJBLU-UHFFFAOYSA-N
XLogP1.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine
CID 116680312
2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine
CID 130504589
N-[2-(azetidin-3-yl)ethyl]propan-1-amine
CID 116679505
N-[2-(azetidin-3-ylidene)propyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102913432
N'-[2-(azetidin-3-ylidene)propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994260
N'-[2-(azetidin-3-ylidene)propyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994429
N-[2-(azetidin-3-ylidene)propyl]-2,2-dimethylbutan-1-amine
CID 103462225
N-[2-(azetidin-3-ylidene)propyl]-2,2,3-trimethylbutan-1-amine
CID 105699149
2-(azetidin-3-ylidene)-N-[(1-methylcyclopropyl)methyl]propan-1-amine
CID 105699393
N-[2-(azetidin-3-ylidene)propyl]-2-ethylcyclopropan-1-amine
CID 105757213
2-(azetidin-3-ylidene)-N-(cyclobutylmethyl)-N-ethylpropan-1-amine
CID 107399383
N-[2-(azetidin-3-ylidene)propyl]-2-ethylhexan-1-amine
CID 107815911

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine (CID 116679936) is N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine is CCC(C)CNCC(C)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine?
The InChIKey is ABRPSZGZZFJBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-9(2)5-12-6-10(3)11-7-13-8-11/h9,12-13H,4-8H2,1-3H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine?
N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine has a molecular weight of 182.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine is sourced from PubChem (CID 116679936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).