N,N'-dibutyl-2-methylpropane-1,3-diamine

C12H28N2 — CID 22075510

IUPACN,N'-dibutyl-2-methylpropane-1,3-diamine
SMILESCCCCNCC(C)CNCCCC
InChIInChI=1S/C12H28N2/c1-4-6-8-13-10-12(3)11-14-9-7-5-2/h12-14H,4-11H2,1-3H3
InChIKeyNETBDXQFJKTDIJ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.40
Rot. Bonds10

About N,N'-dibutyl-2-methylpropane-1,3-diamine

N,N'-dibutyl-2-methylpropane-1,3-diamine (PubChem CID 22075510) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N,N'-dibutyl-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dibutyl-2-methylpropane-1,3-diamine
PubChem CID22075510
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN,N'-dibutyl-2-methylpropane-1,3-diamine
SMILESCCCCNCC(C)CNCCCC
InChIInChI=1S/C12H28N2/c1-4-6-8-13-10-12(3)11-14-9-7-5-2/h12-14H,4-11H2,1-3H3
InChIKeyNETBDXQFJKTDIJ-UHFFFAOYSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.40
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-butyl-2-methylpentane-1,5-diamine
CID 104681936
N-butyl-N'-(2,4-dimethylheptyl)propane-1,3-diamine
CID 146252280
3-(butylamino)-2-methylpropane-1-sulfonic acid
CID 146216449
N-butyl-4-ethoxy-2-methylbutan-1-amine
CID 156824586
3-(heptylamino)-2-methylpropan-1-ol
CID 65031965
N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473
2-methyl-N-pentylbutane-1,4-diamine
CID 114987341
N-(2-methyl-3-methylsulfanylpropyl)nonan-1-amine
CID 63964508
N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine
CID 63964733
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
5-(butylamino)-2-methylpentan-1-ol
CID 106158336
N,N'-dibutyl-2,5-dimethylheptane-1,7-diamine;N,N'-diethyl-5-methylnonane-1,9-diamine
CID 21331399

Frequently Asked Questions

What is the IUPAC name of N,N'-dibutyl-2-methylpropane-1,3-diamine?
The IUPAC name of N,N'-dibutyl-2-methylpropane-1,3-diamine (CID 22075510) is N,N'-dibutyl-2-methylpropane-1,3-diamine.
What is the SMILES notation for N,N'-dibutyl-2-methylpropane-1,3-diamine?
The canonical SMILES for N,N'-dibutyl-2-methylpropane-1,3-diamine is CCCCNCC(C)CNCCCC.
What is the InChIKey of N,N'-dibutyl-2-methylpropane-1,3-diamine?
The InChIKey is NETBDXQFJKTDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-4-6-8-13-10-12(3)11-14-9-7-5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of N,N'-dibutyl-2-methylpropane-1,3-diamine?
N,N'-dibutyl-2-methylpropane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibutyl-2-methylpropane-1,3-diamine is sourced from PubChem (CID 22075510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).