4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine

C14H32N2 — CID 62425136

IUPAC4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
SMILESCCCCN(C)C(C)CCCNCC(C)C
InChIInChI=1S/C14H32N2/c1-6-7-11-16(5)14(4)9-8-10-15-12-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyIGPXXLAXTKJKRE-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds10

About 4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine

4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine (PubChem CID 62425136) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
PubChem CID62425136
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
SMILESCCCCN(C)C(C)CCCNCC(C)C
InChIInChI=1S/C14H32N2/c1-6-7-11-16(5)14(4)9-8-10-15-12-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeyIGPXXLAXTKJKRE-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
4-N-methyl-1-N-(2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
CID 62426193
4-N-butan-2-yl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62419355
3-N,3-N-dibutyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 55195808
4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine
CID 79494469
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 54104955
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591894
N'-methyl-N'-pentan-2-yl-N-propylpentane-1,5-diamine
CID 62432727
N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine
CID 63527329
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine?
The IUPAC name of 4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine (CID 62425136) is 4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine?
The canonical SMILES for 4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine is CCCCN(C)C(C)CCCNCC(C)C.
What is the InChIKey of 4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine?
The InChIKey is IGPXXLAXTKJKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-7-11-16(5)14(4)9-8-10-15-12-13(2)3/h13-15H,6-12H2,1-5H3.
What are the key properties of 4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine?
4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine is sourced from PubChem (CID 62425136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).