1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine

C9H18N2 — CID 80559737

IUPAC1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine
SMILESCC(NC1CC(N)C1)C1CC1
InChIInChI=1S/C9H18N2/c1-6(7-2-3-7)11-9-4-8(10)5-9/h6-9,11H,2-5,10H2,1H3
InChIKeyDHRIOJXANUKOGY-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds3

About 1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine

1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine (PubChem CID 80559737) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine
PubChem CID80559737
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine
SMILESCC(NC1CC(N)C1)C1CC1
InChIInChI=1S/C9H18N2/c1-6(7-2-3-7)11-9-4-8(10)5-9/h6-9,11H,2-5,10H2,1H3
InChIKeyDHRIOJXANUKOGY-UHFFFAOYSA-N
XLogP0.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine
CID 79458363
3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine
CID 79461481
1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine
CID 81390120
N-[(1R)-1-cyclopropylethyl]cyclopropanamine
CID 28819115
4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine
CID 81385078
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-(1-cyclohexylethyl)-3-methylcyclobutan-1-amine
CID 115677489
N-(1-cyclopropylethyl)cyclopent-3-en-1-amine
CID 115728515
N-[(1R)-1-cyclopentylethyl]-3-ethylcyclopentan-1-amine
CID 81395536
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(1-cyclopentylethyl)-3-methoxycyclobutan-1-amine
CID 104584547
N-(1-cyclohexylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 63478862

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine (CID 80559737) is 1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine is CC(NC1CC(N)C1)C1CC1.
What is the InChIKey of 1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine?
The InChIKey is DHRIOJXANUKOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-6(7-2-3-7)11-9-4-8(10)5-9/h6-9,11H,2-5,10H2,1H3.
What are the key properties of 1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine?
1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-cyclopropylethyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80559737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).