cyclobutylmethanediamine

C10H24N4 — CID 141249006

IUPACcyclobutylmethanediamine
SMILESNC(N)C1CCC1.NC(N)C1CCC1
InChIInChI=1S/2C5H12N2/c2*6-5(7)4-2-1-3-4/h2*4-5H,1-3,6-7H2
InChIKeyWYMMWSHUSSHIQO-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.06
Rot. Bonds2

About cyclobutylmethanediamine

cyclobutylmethanediamine (PubChem CID 141249006) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is cyclobutylmethanediamine.

Molecular Properties

Compound Namecyclobutylmethanediamine
PubChem CID141249006
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Namecyclobutylmethanediamine
SMILESNC(N)C1CCC1.NC(N)C1CCC1
InChIInChI=1S/2C5H12N2/c2*6-5(7)4-2-1-3-4/h2*4-5H,1-3,6-7H2
InChIKeyWYMMWSHUSSHIQO-UHFFFAOYSA-N
XLogP0.06
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 174072137
CID 174072137
1-cyclobutylpropane-1,2-diamine
CID 116932568
(1S)-1-cyclobutylethanamine;hydron;chloride
CID 118957169
cycloheptyl(cyclohexyl)methanamine
CID 65399873
1,2-di(cyclobutyl)ethanamine
CID 65456758
6-bicyclo[3.1.0]hexanyl(cyclobutyl)methanamine
CID 105049389
1-amino-1-cyclobutylpropan-2-ol
CID 55295141
(1S)-1-cyclobutyl-2,2,2-trifluoroethanamine;hydrochloride
CID 127264190
(1R,2S)-1-amino-1-cyclobutylpropan-2-ol
CID 55295105
cyclohexyl(silyl)methanamine
CID 174790563
bis(3-chlorocyclohexyl)methanamine
CID 141387769
2-cyclobutyl-1-cycloheptylethanamine
CID 65457005

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethanediamine?
The IUPAC name of cyclobutylmethanediamine (CID 141249006) is cyclobutylmethanediamine.
What is the SMILES notation for cyclobutylmethanediamine?
The canonical SMILES for cyclobutylmethanediamine is NC(N)C1CCC1.NC(N)C1CCC1.
What is the InChIKey of cyclobutylmethanediamine?
The InChIKey is WYMMWSHUSSHIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12N2/c2*6-5(7)4-2-1-3-4/h2*4-5H,1-3,6-7H2.
What are the key properties of cyclobutylmethanediamine?
cyclobutylmethanediamine has a molecular weight of 200.33 g/mol, XLogP of 0.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethanediamine is sourced from PubChem (CID 141249006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).