1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine

C7H17N3 — CID 67330739

IUPAC1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine
SMILESCC(N)NCCC1CNC1
InChIInChI=1S/C7H17N3/c1-6(8)10-3-2-7-4-9-5-7/h6-7,9-10H,2-5,8H2,1H3
InChIKeyANUYVPHXMHOKMY-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.51
Rot. Bonds4

About 1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine

1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine (PubChem CID 67330739) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine
PubChem CID67330739
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine
SMILESCC(N)NCCC1CNC1
InChIInChI=1S/C7H17N3/c1-6(8)10-3-2-7-4-9-5-7/h6-7,9-10H,2-5,8H2,1H3
InChIKeyANUYVPHXMHOKMY-UHFFFAOYSA-N
XLogP-0.51
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-yl)-N-methylethanamine;ethane
CID 156743825
N-[2-(azetidin-3-yl)ethyl]-2-methylbutan-1-amine
CID 116679937
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]propan-2-amine;hydrochloride
CID 71637413
N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 116680140
N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine
CID 116680425
N-[2-(azetidin-3-yl)ethyl]-3-methylcyclobutan-1-amine
CID 116680413
1-N'-(cyclobutylmethyl)ethane-1,1-diamine
CID 173135813
3-butylazetidine
CID 20827268
N-[2-(azetidin-3-yl)ethyl]-N-methylbutan-2-amine
CID 116679376
N-(2-cyclopentylethyl)propan-2-amine;molecular hydrogen
CID 165122655
N-(2-cyclobutylethyl)propan-2-amine;molecular hydrogen
CID 171515150
1-N'-pentylethane-1,1-diamine
CID 87708859

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine (CID 67330739) is 1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine is CC(N)NCCC1CNC1.
What is the InChIKey of 1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine?
The InChIKey is ANUYVPHXMHOKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-6(8)10-3-2-7-4-9-5-7/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine?
1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine has a molecular weight of 143.23 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-(azetidin-3-yl)ethyl]ethane-1,1-diamine is sourced from PubChem (CID 67330739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).