2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine

C17H38N2 — CID 107871155

IUPAC2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CN)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H38N2/c1-7-10-17(6,13-18)14-19(11-8-15(2)3)12-9-16(4)5/h15-16H,7-14,18H2,1-6H3
InChIKeyLQMYCZRURVHTHW-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.15
Rot. Bonds11

About 2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine

2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine (PubChem CID 107871155) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine
PubChem CID107871155
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CN)CN(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H38N2/c1-7-10-17(6,13-18)14-19(11-8-15(2)3)12-9-16(4)5/h15-16H,7-14,18H2,1-6H3
InChIKeyLQMYCZRURVHTHW-UHFFFAOYSA-N
XLogP4.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78987321
2-methyl-N'-(2-methylpropyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62259708
N-(2,2-dimethylpropyl)-3-methyl-N-propylbutan-1-amine
CID 166726293
N'-ethyl-2,2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 79660847
N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62263205
2-N,2-dimethyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 61425411
3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol
CID 107870720
2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107871143
N',N',2-trimethyl-2-propylbutane-1,4-diamine
CID 167480826
N-[2-(dimethylamino)ethyl]-N'-ethyl-2-methyl-N-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 62257607
N'-ethyl-N,N,2,2-tetramethyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 170043277
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine?
The IUPAC name of 2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine (CID 107871155) is 2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for 2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine?
The canonical SMILES for 2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine is CCCC(C)(CN)CN(CCC(C)C)CCC(C)C.
What is the InChIKey of 2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine?
The InChIKey is LQMYCZRURVHTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-7-10-17(6,13-18)14-19(11-8-15(2)3)12-9-16(4)5/h15-16H,7-14,18H2,1-6H3.
What are the key properties of 2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine?
2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N',N'-bis(3-methylbutyl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 107871155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).