N-butyl-2-ethylpentane-1,5-diamine

C11H26N2 — CID 174821174

IUPACN-butyl-2-ethylpentane-1,5-diamine
SMILESCCCCNCC(CC)CCCN
InChIInChI=1S/C11H26N2/c1-3-5-9-13-10-11(4-2)7-6-8-12/h11,13H,3-10,12H2,1-2H3
InChIKeyKTXRHABDCAJXQX-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.14
Rot. Bonds9

About N-butyl-2-ethylpentane-1,5-diamine

N-butyl-2-ethylpentane-1,5-diamine (PubChem CID 174821174) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N-butyl-2-ethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-butyl-2-ethylpentane-1,5-diamine
PubChem CID174821174
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN-butyl-2-ethylpentane-1,5-diamine
SMILESCCCCNCC(CC)CCCN
InChIInChI=1S/C11H26N2/c1-3-5-9-13-10-11(4-2)7-6-8-12/h11,13H,3-10,12H2,1-2H3
InChIKeyKTXRHABDCAJXQX-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
CID 59929730
2-ethyl-N-pentylhexan-1-amine
CID 43081963
N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine
CID 114004218
N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine
CID 107815978
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
3-N-(2-ethylhexyl)propane-1,1,3-triamine
CID 142717096
N'-(2-ethylbutyl)ethane-1,2-diamine
CID 59135539
3-ethyl-N'-octylhexane-1,6-diamine
CID 113337396
N-(4-chloropentyl)-2-ethylhexan-1-amine
CID 106121824
2-(butylaminomethyl)butane-1-thiol
CID 142660120
2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine
CID 115518505
N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine
CID 107815808

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethylpentane-1,5-diamine?
The IUPAC name of N-butyl-2-ethylpentane-1,5-diamine (CID 174821174) is N-butyl-2-ethylpentane-1,5-diamine.
What is the SMILES notation for N-butyl-2-ethylpentane-1,5-diamine?
The canonical SMILES for N-butyl-2-ethylpentane-1,5-diamine is CCCCNCC(CC)CCCN.
What is the InChIKey of N-butyl-2-ethylpentane-1,5-diamine?
The InChIKey is KTXRHABDCAJXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-3-5-9-13-10-11(4-2)7-6-8-12/h11,13H,3-10,12H2,1-2H3.
What are the key properties of N-butyl-2-ethylpentane-1,5-diamine?
N-butyl-2-ethylpentane-1,5-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethylpentane-1,5-diamine is sourced from PubChem (CID 174821174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).