2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine

C16H36N2 — CID 63482502

IUPAC2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CC(C)(CC)CNCC(C)C
InChIInChI=1S/C16H36N2/c1-7-10-18(11-8-2)14-16(6,9-3)13-17-12-15(4)5/h15,17H,7-14H2,1-6H3
InChIKeyIOQTWPXXDAYLTO-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.77
Rot. Bonds11

About 2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine

2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine (PubChem CID 63482502) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine
PubChem CID63482502
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CC(C)(CC)CNCC(C)C
InChIInChI=1S/C16H36N2/c1-7-10-18(11-8-2)14-16(6,9-3)13-17-12-15(4)5/h15,17H,7-14H2,1-6H3
InChIKeyIOQTWPXXDAYLTO-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62262144
N-cyclopropyl-2-ethyl-2-methyl-N'-(2-methylpropyl)-N-propylpropane-1,3-diamine
CID 62263679
N-butan-2-yl-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264012
N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55197122
N-(cyclopropylmethyl)-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63956910
N-tert-butyl-2-ethyl-2-methyl-N',N'-dipropylpropane-1,3-diamine
CID 62263394
N-benzyl-N,2-diethyl-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63482890
N-cyclopropyl-2-ethyl-2-methyl-N-(3-methylbutyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 78944163
2-ethyl-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 55257102
N-[3-(dimethylamino)propyl]-N-ethyl-2-methyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 102997053
2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107871143
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 62261000

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine (CID 63482502) is 2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine is CCCN(CCC)CC(C)(CC)CNCC(C)C.
What is the InChIKey of 2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine?
The InChIKey is IOQTWPXXDAYLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-7-10-18(11-8-2)14-16(6,9-3)13-17-12-15(4)5/h15,17H,7-14H2,1-6H3.
What are the key properties of 2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine?
2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.77, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine is sourced from PubChem (CID 63482502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).