2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine

C15H34N2 — CID 62259798

IUPAC2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCCCCN(CC(C)(CC)CNC)C(C)C
InChIInChI=1S/C15H34N2/c1-7-9-10-11-17(14(3)4)13-15(5,8-2)12-16-6/h14,16H,7-13H2,1-6H3
InChIKeyZCRYIEOAFGWJHZ-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.52
Rot. Bonds10

About 2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine

2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62259798) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62259798
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCCCCN(CC(C)(CC)CNC)C(C)C
InChIInChI=1S/C15H34N2/c1-7-9-10-11-17(14(3)4)13-15(5,8-2)12-16-6/h14,16H,7-13H2,1-6H3
InChIKeyZCRYIEOAFGWJHZ-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N,N',2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62263389
2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79811282
2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79812309
2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
CID 65267034
N,2-dimethyl-N'-(2-methylpropyl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62259022
2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal
CID 62276624
2-[[2-(ethylaminomethyl)-2-methylbutyl]-propan-2-ylamino]ethanol
CID 62272801
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
2-ethyl-N,2-dimethylundecan-1-amine
CID 63508847
2,2-dimethyl-3-[pentyl(propan-2-yl)amino]propanoic acid
CID 62271230
2-methyl-3-[pentyl(propan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64826760
2-methyl-2-(methylamino)-6-[pentyl(propan-2-yl)amino]hexan-1-ol
CID 64825962

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine (CID 62259798) is 2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine is CCCCCN(CC(C)(CC)CNC)C(C)C.
What is the InChIKey of 2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is ZCRYIEOAFGWJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-7-9-10-11-17(14(3)4)13-15(5,8-2)12-16-6/h14,16H,7-13H2,1-6H3.
What are the key properties of 2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine?
2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62259798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).