2-(2-aminoethyl)cyclobutane-1,1-diamine

C6H15N3 — CID 19101489

IUPAC2-(2-aminoethyl)cyclobutane-1,1-diamine
SMILESNCCC1CCC1(N)N
InChIInChI=1S/C6H15N3/c7-4-2-5-1-3-6(5,8)9/h5H,1-4,7-9H2
InChIKeyAHQBHFQHSXTLCK-UHFFFAOYSA-N
MW129.21 g/mol
LogP-0.64
Rot. Bonds2

About 2-(2-aminoethyl)cyclobutane-1,1-diamine

2-(2-aminoethyl)cyclobutane-1,1-diamine (PubChem CID 19101489) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 2-(2-aminoethyl)cyclobutane-1,1-diamine.

Molecular Properties

Compound Name2-(2-aminoethyl)cyclobutane-1,1-diamine
PubChem CID19101489
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name2-(2-aminoethyl)cyclobutane-1,1-diamine
SMILESNCCC1CCC1(N)N
InChIInChI=1S/C6H15N3/c7-4-2-5-1-3-6(5,8)9/h5H,1-4,7-9H2
InChIKeyAHQBHFQHSXTLCK-UHFFFAOYSA-N
XLogP-0.64
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 5-0.64
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-spiro[3.5]nonan-9-ylethanamine
CID 83905636
2-[(1R)-2,2-difluorocyclopropyl]ethanamine
CID 97296634
2,4-dipropylcyclohexane-1,1-diamine
CID 22921284
2-(2-aminoethyl)-1-(trifluoromethyl)cyclopentan-1-ol
CID 84733431
2-(2,9-dioxaspiro[5.5]undecan-5-yl)ethanamine
CID 83908267
[(1R)-2,2,3,3-tetramethylcyclopentyl]methanamine
CID 58477002
2-(5,5-difluoro-1-methylazepan-4-yl)ethanamine
CID 84772418
2-prop-2-enylcyclohexane-1,1-diamine
CID 175214314
3-(2,2-difluorocyclopentyl)propan-1-amine
CID 105432125
2-(4,4-difluorooxan-3-yl)ethanamine
CID 84764908
2-(1-butyl-2,2-dimethylpyrrolidin-3-yl)ethanamine
CID 117017535
10-propyltrispiro[2.0.0.25.24.33]dodecane
CID 57272615

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)cyclobutane-1,1-diamine?
The IUPAC name of 2-(2-aminoethyl)cyclobutane-1,1-diamine (CID 19101489) is 2-(2-aminoethyl)cyclobutane-1,1-diamine.
What is the SMILES notation for 2-(2-aminoethyl)cyclobutane-1,1-diamine?
The canonical SMILES for 2-(2-aminoethyl)cyclobutane-1,1-diamine is NCCC1CCC1(N)N.
What is the InChIKey of 2-(2-aminoethyl)cyclobutane-1,1-diamine?
The InChIKey is AHQBHFQHSXTLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c7-4-2-5-1-3-6(5,8)9/h5H,1-4,7-9H2.
What are the key properties of 2-(2-aminoethyl)cyclobutane-1,1-diamine?
2-(2-aminoethyl)cyclobutane-1,1-diamine has a molecular weight of 129.21 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)cyclobutane-1,1-diamine is sourced from PubChem (CID 19101489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).