N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine

C11H27N3 — CID 21130479

IUPACN,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
SMILESCNCCCCN(C)CCCCNC
InChIInChI=1S/C11H27N3/c1-12-8-4-6-10-14(3)11-7-5-9-13-2/h12-13H,4-11H2,1-3H3
InChIKeyDTPSIJDSNWWFDX-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.92
Rot. Bonds10

About N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine

N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine (PubChem CID 21130479) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
PubChem CID21130479
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
SMILESCNCCCCN(C)CCCCNC
InChIInChI=1S/C11H27N3/c1-12-8-4-6-10-14(3)11-7-5-9-13-2/h12-13H,4-11H2,1-3H3
InChIKeyDTPSIJDSNWWFDX-UHFFFAOYSA-N
XLogP0.92
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
CID 115202176
N'-(5-chloropentyl)-N,N'-dimethylhexadecane-1,16-diamine;hydrochloride
CID 141033111
N'-(3-methoxypropyl)-N,N'-dimethylbutane-1,4-diamine
CID 63008855
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994
N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 156899705
N'-heptyl-N,N'-dimethylethane-1,2-diamine
CID 43374401
N'-heptadecyl-N,N'-dimethylethane-1,2-diamine
CID 23574295
N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine
CID 164861314
CID 137019099
CID 137019099

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine (CID 21130479) is N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine is CNCCCCN(C)CCCCNC.
What is the InChIKey of N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine?
The InChIKey is DTPSIJDSNWWFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-12-8-4-6-10-14(3)11-7-5-9-13-2/h12-13H,4-11H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine?
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine has a molecular weight of 201.36 g/mol, XLogP of 0.92, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine is sourced from PubChem (CID 21130479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).