2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine

C15H34N2 — CID 62262271

IUPAC2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
SMILESCCC(CC)(CNCC(C)C)CN(C)C(C)C
InChIInChI=1S/C15H34N2/c1-8-15(9-2,11-16-10-13(3)4)12-17(7)14(5)6/h13-14,16H,8-12H2,1-7H3
InChIKeyNYSCYAXYEQKUTQ-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.38
Rot. Bonds9

About 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine

2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine (PubChem CID 62262271) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
PubChem CID62262271
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
SMILESCCC(CC)(CNCC(C)C)CN(C)C(C)C
InChIInChI=1S/C15H34N2/c1-8-15(9-2,11-16-10-13(3)4)12-17(7)14(5)6/h13-14,16H,8-12H2,1-7H3
InChIKeyNYSCYAXYEQKUTQ-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62261892
1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol
CID 79377983
2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-propan-2-ylamino]ethanol
CID 62271517
2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol
CID 55056371
N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62257932
N-(cyclobutylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55195024
2,2-diethyl-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62264308
N-butan-2-yl-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264012
2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62262144
N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55197122
2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495574
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine (CID 62262271) is 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine is CCC(CC)(CNCC(C)C)CN(C)C(C)C.
What is the InChIKey of 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
The InChIKey is NYSCYAXYEQKUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-8-15(9-2,11-16-10-13(3)4)12-17(7)14(5)6/h13-14,16H,8-12H2,1-7H3.
What are the key properties of 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine?
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62262271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).