N-butyl-4-butylimino-2-methylpentan-2-amine

C14H30N2 — CID 139084299

IUPACN-butyl-4-butylimino-2-methylpentan-2-amine
SMILESCCCC/N=C(\C)CC(C)(C)NCCCC
InChIInChI=1S/C14H30N2/c1-6-8-10-15-13(3)12-14(4,5)16-11-9-7-2/h16H,6-12H2,1-5H3/b15-13+
InChIKeyDJWZPFCYRHOYIC-FYWRMAATSA-N
MW226.41 g/mol
LogP3.81
Rot. Bonds9

About N-butyl-4-butylimino-2-methylpentan-2-amine

N-butyl-4-butylimino-2-methylpentan-2-amine (PubChem CID 139084299) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-butyl-4-butylimino-2-methylpentan-2-amine.

Molecular Properties

Compound NameN-butyl-4-butylimino-2-methylpentan-2-amine
PubChem CID139084299
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-butyl-4-butylimino-2-methylpentan-2-amine
SMILESCCCC/N=C(\C)CC(C)(C)NCCCC
InChIInChI=1S/C14H30N2/c1-6-8-10-15-13(3)12-14(4,5)16-11-9-7-2/h16H,6-12H2,1-5H3/b15-13+
InChIKeyDJWZPFCYRHOYIC-FYWRMAATSA-N
XLogP3.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-butylimino-2-methylpentan-2-amine?
The IUPAC name of N-butyl-4-butylimino-2-methylpentan-2-amine (CID 139084299) is N-butyl-4-butylimino-2-methylpentan-2-amine.
What is the SMILES notation for N-butyl-4-butylimino-2-methylpentan-2-amine?
The canonical SMILES for N-butyl-4-butylimino-2-methylpentan-2-amine is CCCC/N=C(\C)CC(C)(C)NCCCC.
What is the InChIKey of N-butyl-4-butylimino-2-methylpentan-2-amine?
The InChIKey is DJWZPFCYRHOYIC-FYWRMAATSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-8-10-15-13(3)12-14(4,5)16-11-9-7-2/h16H,6-12H2,1-5H3/b15-13+.
What are the key properties of N-butyl-4-butylimino-2-methylpentan-2-amine?
N-butyl-4-butylimino-2-methylpentan-2-amine has a molecular weight of 226.41 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-butylimino-2-methylpentan-2-amine is sourced from PubChem (CID 139084299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).