4-cyclobutylbutane-1,1-diamine

C8H18N2 — CID 90300630

IUPAC4-cyclobutylbutane-1,1-diamine
SMILESNC(N)CCCC1CCC1
InChIInChI=1S/C8H18N2/c9-8(10)6-2-5-7-3-1-4-7/h7-8H,1-6,9-10H2
InChIKeyVDJCEBQXITWRRW-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.20
Rot. Bonds4

About 4-cyclobutylbutane-1,1-diamine

4-cyclobutylbutane-1,1-diamine (PubChem CID 90300630) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 4-cyclobutylbutane-1,1-diamine.

Molecular Properties

Compound Name4-cyclobutylbutane-1,1-diamine
PubChem CID90300630
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name4-cyclobutylbutane-1,1-diamine
SMILESNC(N)CCCC1CCC1
InChIInChI=1S/C8H18N2/c9-8(10)6-2-5-7-3-1-4-7/h7-8H,1-6,9-10H2
InChIKeyVDJCEBQXITWRRW-UHFFFAOYSA-N
XLogP1.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexylbutane-1,1-diamine
CID 174921978
5-cyclobutylpentylcyclobutane
CID 173228999
4-methylpentylcyclopentane
CID 523530
3-cyclobutylpropylcyclohexane
CID 54165208
[7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane
CID 71438405
(3R,4S)-3-amino-7-cyclobutyl-4-methylheptanoic acid
CID 68869099
4-cyclopentyl-1-phenylbutan-1-amine
CID 64504653
3-(4-methylpentyl)cyclohexan-1-amine
CID 83169215
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen
CID 142227431
(3S,5S)-3-amino-8-cyclobutyl-5-methyloctanoic acid
CID 68857473

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutylbutane-1,1-diamine?
The IUPAC name of 4-cyclobutylbutane-1,1-diamine (CID 90300630) is 4-cyclobutylbutane-1,1-diamine.
What is the SMILES notation for 4-cyclobutylbutane-1,1-diamine?
The canonical SMILES for 4-cyclobutylbutane-1,1-diamine is NC(N)CCCC1CCC1.
What is the InChIKey of 4-cyclobutylbutane-1,1-diamine?
The InChIKey is VDJCEBQXITWRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c9-8(10)6-2-5-7-3-1-4-7/h7-8H,1-6,9-10H2.
What are the key properties of 4-cyclobutylbutane-1,1-diamine?
4-cyclobutylbutane-1,1-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutylbutane-1,1-diamine is sourced from PubChem (CID 90300630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).