2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine

C15H26N2 — CID 62880739

IUPAC2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC)C(CN)CCc1ccccc1
InChIInChI=1S/C15H26N2/c1-3-12-17(4-2)15(13-16)11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13,16H2,1-2H3
InChIKeyGAPCHNVJFCHXBN-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.68
Rot. Bonds8

About 2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine

2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine (PubChem CID 62880739) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
PubChem CID62880739
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC)C(CN)CCc1ccccc1
InChIInChI=1S/C15H26N2/c1-3-12-17(4-2)15(13-16)11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13,16H2,1-2H3
InChIKeyGAPCHNVJFCHXBN-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
2-N-(cyclobutylmethyl)-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 107397853
2-N-ethyl-2-N-(2-methylphenyl)-4-phenylbutane-1,2-diamine
CID 60709793
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-phenylbutane-1,2-diamine
CID 103188024
3-N-ethyl-3-N-(2-phenylethyl)butane-1,3-diamine
CID 54855366
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-4-phenylbutane-1,2-diamine
CID 62881786
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-phenylpropane-1,2-diamine
CID 102992091
2-N-benzyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 131068415
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 63473262
2-N-(1-methoxypropan-2-yl)-2-N-methyl-4-phenylbutane-1,2-diamine
CID 55129264
N-methyl-4-phenyl-N-propylbutan-2-amine
CID 90881559

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine (CID 62880739) is 2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine is CCCN(CC)C(CN)CCc1ccccc1.
What is the InChIKey of 2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine?
The InChIKey is GAPCHNVJFCHXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-12-17(4-2)15(13-16)11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13,16H2,1-2H3.
What are the key properties of 2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine?
2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-phenyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62880739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).