N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine

C12H28N2 — CID 115202176

IUPACN,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
SMILESCNCCCCN(C)CCCC(C)C
InChIInChI=1S/C12H28N2/c1-12(2)8-7-11-14(4)10-6-5-9-13-3/h12-13H,5-11H2,1-4H3
InChIKeyFVFREWTZAKSTOO-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.35
Rot. Bonds9

About N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine

N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine (PubChem CID 115202176) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
PubChem CID115202176
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
SMILESCNCCCCN(C)CCCC(C)C
InChIInChI=1S/C12H28N2/c1-12(2)8-7-11-14(4)10-6-5-9-13-3/h12-13H,5-11H2,1-4H3
InChIKeyFVFREWTZAKSTOO-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.35
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

N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
N,5-dimethylhexan-1-amine;ethane
CID 142540507
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
N'-methyl-N-(4-methylpentyl)-N'-propylpentane-1,5-diamine
CID 175614170
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
N,6-dimethylheptan-1-amine;ethane
CID 169159475
N,N'-dimethyl-N'-(4-methylhexyl)ethane-1,2-diamine
CID 123518581
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
N-(2-chloroethyl)-N,4-dimethylpentan-1-amine
CID 83168960
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride
CID 141033111

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine (CID 115202176) is N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine is CNCCCCN(C)CCCC(C)C.
What is the InChIKey of N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine?
The InChIKey is FVFREWTZAKSTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-12(2)8-7-11-14(4)10-6-5-9-13-3/h12-13H,5-11H2,1-4H3.
What are the key properties of N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine?
N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine is sourced from PubChem (CID 115202176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).