3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine

C19H42N2 — CID 166856745

IUPAC3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine
SMILESCCCCN(C)C(C)(C)CCN(C)C(C)(C)C(C)(C)CC
InChIInChI=1S/C19H42N2/c1-11-13-15-20(9)18(5,6)14-16-21(10)19(7,8)17(3,4)12-2/h11-16H2,1-10H3
InChIKeyJXDFLVDZQVOOQM-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.03
Rot. Bonds10

About 3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine

3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine (PubChem CID 166856745) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is 3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine
PubChem CID166856745
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Name3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine
SMILESCCCCN(C)C(C)(C)CCN(C)C(C)(C)C(C)(C)CC
InChIInChI=1S/C19H42N2/c1-11-13-15-20(9)18(5,6)14-16-21(10)19(7,8)17(3,4)12-2/h11-16H2,1-10H3
InChIKeyJXDFLVDZQVOOQM-UHFFFAOYSA-N
XLogP5.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine with MolForge

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Related Compounds

N-methyl-N-(2-methylbutan-2-yl)hexan-1-amine
CID 167034677
N-ethyl-N,2-dimethylhexan-2-amine
CID 87916195
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
N-ethyl-N,3-dimethylheptan-3-amine
CID 123202757
N-tert-butyl-N-methylbutan-1-amine;2-methylpropane
CID 158127405
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
2-[heptyl(methyl)amino]-2-methylpropan-1-ol
CID 115644310
N-hex-5-ynyl-N,2-dimethylpentan-2-amine
CID 167034681
N-butyl-2-methyl-N-(2-methylbutan-2-yl)butan-2-amine
CID 139723099
2-[butyl(methyl)amino]-2-methylbutanoic acid
CID 114988987
2-amino-2-methyl-4-[methyl(2-methylbutan-2-yl)amino]butan-1-ol
CID 64791427
N-butyl-1-ethoxy-N,2-dimethylbutan-2-amine
CID 176560194

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine?
The IUPAC name of 3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine (CID 166856745) is 3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine.
What is the SMILES notation for 3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine?
The canonical SMILES for 3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine is CCCCN(C)C(C)(C)CCN(C)C(C)(C)C(C)(C)CC.
What is the InChIKey of 3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine?
The InChIKey is JXDFLVDZQVOOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-11-13-15-20(9)18(5,6)14-16-21(10)19(7,8)17(3,4)12-2/h11-16H2,1-10H3.
What are the key properties of 3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine?
3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine has a molecular weight of 298.56 g/mol, XLogP of 5.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-1-N,3-N,3-trimethyl-1-N-(2,3,3-trimethylpentan-2-yl)butane-1,3-diamine is sourced from PubChem (CID 166856745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).