1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine

C16H28N2 — CID 65041408

IUPAC1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine
SMILESCCC(CC)(CC)NCC(C)(N)c1ccccc1
InChIInChI=1S/C16H28N2/c1-5-16(6-2,7-3)18-13-15(4,17)14-11-9-8-10-12-14/h8-12,18H,5-7,13,17H2,1-4H3
InChIKeyFDEIXHRNYCELRY-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.42
Rot. Bonds7

About 1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine

1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine (PubChem CID 65041408) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine
PubChem CID65041408
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine
SMILESCCC(CC)(CC)NCC(C)(N)c1ccccc1
InChIInChI=1S/C16H28N2/c1-5-16(6-2,7-3)18-13-15(4,17)14-11-9-8-10-12-14/h8-12,18H,5-7,13,17H2,1-4H3
InChIKeyFDEIXHRNYCELRY-UHFFFAOYSA-N
XLogP3.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(ethoxymethyl)-2-phenylbutan-1-amine
CID 103984585
(2S)-2-phenylhexan-2-amine
CID 10889241
1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine
CID 62487396
2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine
CID 106219295
2-(4-tert-butylphenyl)butan-2-amine
CID 62548189
1-(4-tert-butylphenyl)-1-phenylpropan-1-amine
CID 63408284
(2R)-2-phenylhexan-2-amine;hydrochloride
CID 53487309
3,3,4,5,5-pentamethylheptan-4-ylbenzene
CID 144815892
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
3-phenylpentan-3-amine;2-phenylpropan-2-amine
CID 67930723
2-phenyldecan-2-amine
CID 63408050
2,3-dimethyl-3-phenylbutan-2-amine
CID 54449592

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine (CID 65041408) is 1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine is CCC(CC)(CC)NCC(C)(N)c1ccccc1.
What is the InChIKey of 1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine?
The InChIKey is FDEIXHRNYCELRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-16(6-2,7-3)18-13-15(4,17)14-11-9-8-10-12-14/h8-12,18H,5-7,13,17H2,1-4H3.
What are the key properties of 1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine?
1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 65041408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).