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

C16H28N2 — CID 65041354

IUPACN'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine
SMILESCCC(CC)(CC)NCC(CN)c1ccccc1
InChIInChI=1S/C16H28N2/c1-4-16(5-2,6-3)18-13-15(12-17)14-10-8-7-9-11-14/h7-11,15,18H,4-6,12-13,17H2,1-3H3
InChIKeyYHPMOJXVRQVGQU-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.29
Rot. Bonds8

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

N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine (PubChem CID 65041354) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine
PubChem CID65041354
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine
SMILESCCC(CC)(CC)NCC(CN)c1ccccc1
InChIInChI=1S/C16H28N2/c1-4-16(5-2,6-3)18-13-15(12-17)14-10-8-7-9-11-14/h7-11,15,18H,4-6,12-13,17H2,1-3H3
InChIKeyYHPMOJXVRQVGQU-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine?
The IUPAC name of N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine (CID 65041354) is N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine is CCC(CC)(CC)NCC(CN)c1ccccc1.
What is the InChIKey of N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine?
The InChIKey is YHPMOJXVRQVGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-16(5-2,6-3)18-13-15(12-17)14-10-8-7-9-11-14/h7-11,15,18H,4-6,12-13,17H2,1-3H3.
What are the key properties of N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine?
N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 65041354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).