1-cyclobutylpropane-1,2-diamine

C7H16N2 — CID 116932568

IUPAC1-cyclobutylpropane-1,2-diamine
SMILESCC(N)C(N)C1CCC1
InChIInChI=1S/C7H16N2/c1-5(8)7(9)6-3-2-4-6/h5-7H,2-4,8-9H2,1H3
InChIKeyZSFRLEOQQPJYCG-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.46
Rot. Bonds2

About 1-cyclobutylpropane-1,2-diamine

1-cyclobutylpropane-1,2-diamine (PubChem CID 116932568) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-cyclobutylpropane-1,2-diamine.

Molecular Properties

Compound Name1-cyclobutylpropane-1,2-diamine
PubChem CID116932568
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-cyclobutylpropane-1,2-diamine
SMILESCC(N)C(N)C1CCC1
InChIInChI=1S/C7H16N2/c1-5(8)7(9)6-3-2-4-6/h5-7H,2-4,8-9H2,1H3
InChIKeyZSFRLEOQQPJYCG-UHFFFAOYSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexylpropane-1,2-diamine
CID 20574714
1-amino-1-cyclobutylpropan-2-ol
CID 55295141
(1R,2S)-1-amino-1-cyclobutylpropan-2-ol
CID 55295105
(1S)-1-cyclobutylethanamine;hydron;chloride
CID 118957169
cyclobutylmethanediamine
CID 141249006
1-cyclobutyl-2-cyclopropyl-2-methoxyethanamine
CID 116722033
1-(4-ethylcycloheptyl)-2-methylpropan-1-amine
CID 79298507
1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine
CID 79299029
(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
CID 126622776
cyclobutyl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105049515
1,4-bis(1-cyclobutylethyl)cyclohexane-1,4-diamine
CID 141199870
(1R)-1-amino-1-cyclopropylpropan-2-ol
CID 68935616

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpropane-1,2-diamine?
The IUPAC name of 1-cyclobutylpropane-1,2-diamine (CID 116932568) is 1-cyclobutylpropane-1,2-diamine.
What is the SMILES notation for 1-cyclobutylpropane-1,2-diamine?
The canonical SMILES for 1-cyclobutylpropane-1,2-diamine is CC(N)C(N)C1CCC1.
What is the InChIKey of 1-cyclobutylpropane-1,2-diamine?
The InChIKey is ZSFRLEOQQPJYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-5(8)7(9)6-3-2-4-6/h5-7H,2-4,8-9H2,1H3.
What are the key properties of 1-cyclobutylpropane-1,2-diamine?
1-cyclobutylpropane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpropane-1,2-diamine is sourced from PubChem (CID 116932568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).