2-(methylideneamino)pentan-3-amine

C6H14N2 — CID 147607794

IUPAC2-(methylideneamino)pentan-3-amine
SMILESC=NC(C)C(N)CC
InChIInChI=1S/C6H14N2/c1-4-6(7)5(2)8-3/h5-6H,3-4,7H2,1-2H3
InChIKeyGBKBACNHLMOJSD-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.81
Rot. Bonds3

About 2-(methylideneamino)pentan-3-amine

2-(methylideneamino)pentan-3-amine (PubChem CID 147607794) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-(methylideneamino)pentan-3-amine.

Molecular Properties

Compound Name2-(methylideneamino)pentan-3-amine
PubChem CID147607794
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name2-(methylideneamino)pentan-3-amine
SMILESC=NC(C)C(N)CC
InChIInChI=1S/C6H14N2/c1-4-6(7)5(2)8-3/h5-6H,3-4,7H2,1-2H3
InChIKeyGBKBACNHLMOJSD-UHFFFAOYSA-N
XLogP0.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

hexane-3,4-diamine
CID 12656175
2,3-dimethyl-1-(methylideneamino)pentan-1-amine
CID 91477509
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162
(3R)-4,5-dimethylheptan-3-amine
CID 163978078
N-pentan-3-ylmethanimine
CID 123798612
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
(2R)-2-aminobutane-1,1-diol
CID 148517870
2-propan-2-ylsulfanylpentan-3-amine
CID 64633850
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(3R,4S)-4-aminohexan-3-ol
CID 640991
N-[(5R)-5-ethyl-3-methoxy-6-methyloctan-2-yl]methanimine
CID 163552916

Frequently Asked Questions

What is the IUPAC name of 2-(methylideneamino)pentan-3-amine?
The IUPAC name of 2-(methylideneamino)pentan-3-amine (CID 147607794) is 2-(methylideneamino)pentan-3-amine.
What is the SMILES notation for 2-(methylideneamino)pentan-3-amine?
The canonical SMILES for 2-(methylideneamino)pentan-3-amine is C=NC(C)C(N)CC.
What is the InChIKey of 2-(methylideneamino)pentan-3-amine?
The InChIKey is GBKBACNHLMOJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-4-6(7)5(2)8-3/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 2-(methylideneamino)pentan-3-amine?
2-(methylideneamino)pentan-3-amine has a molecular weight of 114.19 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylideneamino)pentan-3-amine is sourced from PubChem (CID 147607794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).