1-(2-methylhexylideneamino)pentan-3-amine

C12H26N2 — CID 91261034

IUPAC1-(2-methylhexylideneamino)pentan-3-amine
SMILESCCCCC(C)/C=N/CCC(N)CC
InChIInChI=1S/C12H26N2/c1-4-6-7-11(3)10-14-9-8-12(13)5-2/h10-12H,4-9,13H2,1-3H3/b14-10+
InChIKeyJJSCYNJMRNHSDE-GXDHUFHOSA-N
MW198.35 g/mol
LogP3.01
Rot. Bonds8

About 1-(2-methylhexylideneamino)pentan-3-amine

1-(2-methylhexylideneamino)pentan-3-amine (PubChem CID 91261034) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(2-methylhexylideneamino)pentan-3-amine.

Molecular Properties

Compound Name1-(2-methylhexylideneamino)pentan-3-amine
PubChem CID91261034
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(2-methylhexylideneamino)pentan-3-amine
SMILESCCCCC(C)/C=N/CCC(N)CC
InChIInChI=1S/C12H26N2/c1-4-6-7-11(3)10-14-9-8-12(13)5-2/h10-12H,4-9,13H2,1-3H3/b14-10+
InChIKeyJJSCYNJMRNHSDE-GXDHUFHOSA-N
XLogP3.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylhexylideneamino)pentan-3-amine?
The IUPAC name of 1-(2-methylhexylideneamino)pentan-3-amine (CID 91261034) is 1-(2-methylhexylideneamino)pentan-3-amine.
What is the SMILES notation for 1-(2-methylhexylideneamino)pentan-3-amine?
The canonical SMILES for 1-(2-methylhexylideneamino)pentan-3-amine is CCCCC(C)/C=N/CCC(N)CC.
What is the InChIKey of 1-(2-methylhexylideneamino)pentan-3-amine?
The InChIKey is JJSCYNJMRNHSDE-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-6-7-11(3)10-14-9-8-12(13)5-2/h10-12H,4-9,13H2,1-3H3/b14-10+.
What are the key properties of 1-(2-methylhexylideneamino)pentan-3-amine?
1-(2-methylhexylideneamino)pentan-3-amine has a molecular weight of 198.35 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylhexylideneamino)pentan-3-amine is sourced from PubChem (CID 91261034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).