N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine

C18H40N2 — CID 63483431

IUPACN,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCCN(CCCC)CC(C)(CCC)CNC(C)C
InChIInChI=1S/C18H40N2/c1-7-10-13-20(14-11-8-2)16-18(6,12-9-3)15-19-17(4)5/h17,19H,7-16H2,1-6H3
InChIKeyQPKZHMWLRDFXQW-UHFFFAOYSA-N
MW284.53 g/mol
LogP4.69
Rot. Bonds13

About N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine

N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine (PubChem CID 63483431) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
PubChem CID63483431
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC NameN,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCCN(CCCC)CC(C)(CCC)CNC(C)C
InChIInChI=1S/C18H40N2/c1-7-10-13-20(14-11-8-2)16-18(6,12-9-3)15-19-17(4)5/h17,19H,7-16H2,1-6H3
InChIKeyQPKZHMWLRDFXQW-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]amino]ethanol
CID 62256428
N-butyl-N-cyclopropyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 55197311
2-methyl-N-propan-2-yl-2-propylpentan-1-amine
CID 62725026
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63690537
2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107871143
N',2-dimethyl-N,N,2-tripropylpropane-1,3-diamine
CID 62264130
N,2-dimethyl-N'-propan-2-yl-2-propyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63210997
N,2-dimethyl-N-(2-phenylethyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 65487674
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62262477
N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 102997053
N-butan-2-yl-N-butyl-2-methyl-N',2-dipropylpropane-1,3-diamine
CID 63493237

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The IUPAC name of N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine (CID 63483431) is N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The canonical SMILES for N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine is CCCCN(CCCC)CC(C)(CCC)CNC(C)C.
What is the InChIKey of N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
The InChIKey is QPKZHMWLRDFXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-7-10-13-20(14-11-8-2)16-18(6,12-9-3)15-19-17(4)5/h17,19H,7-16H2,1-6H3.
What are the key properties of N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine?
N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine has a molecular weight of 284.53 g/mol, XLogP of 4.69, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 63483431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).