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

C10H20N2 — CID 116679538

IUPACN-[2-(azetidin-3-ylidene)propyl]butan-1-amine
SMILESCCCCNCC(C)=C1CNC1
InChIInChI=1S/C10H20N2/c1-3-4-5-11-6-9(2)10-7-12-8-10/h11-12H,3-8H2,1-2H3
InChIKeyRURBVVYCAZMTQA-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.30
Rot. Bonds5

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

N-[2-(azetidin-3-ylidene)propyl]butan-1-amine (PubChem CID 116679538) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]butan-1-amine
PubChem CID116679538
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]butan-1-amine
SMILESCCCCNCC(C)=C1CNC1
InChIInChI=1S/C10H20N2/c1-3-4-5-11-6-9(2)10-7-12-8-10/h11-12H,3-8H2,1-2H3
InChIKeyRURBVVYCAZMTQA-UHFFFAOYSA-N
XLogP1.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azetidin-3-ylidene)propyl]-2-methylbutan-1-amine
CID 116679936
2-(azetidin-3-ylidene)-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 116680409
N-butyl-2-methylbut-2-en-1-amine
CID 76568540
2-(azetidin-3-ylidene)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 116680460
2-(azetidin-3-ylidene)-N-[(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 116680260
N-[2-(azetidin-3-ylidene)propyl]-1-methylcyclohexan-1-amine
CID 116679830
butylaminomethanol;propane
CID 169245417
N-butylbutan-1-amine;hydrochloride
CID 3083954
N-butylbutan-1-amine;propan-1-ol
CID 174657089
2-(butylamino)acetyl chloride;hydrochloride
CID 87301147
N-butyl-2-methylidenepentan-1-amine
CID 88829510
acetamide;N-butylbutan-1-amine
CID 172792447

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-ylidene)propyl]butan-1-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]butan-1-amine (CID 116679538) is N-[2-(azetidin-3-ylidene)propyl]butan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]butan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]butan-1-amine is CCCCNCC(C)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]butan-1-amine?
The InChIKey is RURBVVYCAZMTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-4-5-11-6-9(2)10-7-12-8-10/h11-12H,3-8H2,1-2H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]butan-1-amine?
N-[2-(azetidin-3-ylidene)propyl]butan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.30, 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]butan-1-amine is sourced from PubChem (CID 116679538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).