2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine

C16H28N2 — CID 61099083

IUPAC2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine
SMILESCCC(C)N(CC)C(CN)C(C)c1ccccc1
InChIInChI=1S/C16H28N2/c1-5-13(3)18(6-2)16(12-17)14(4)15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12,17H2,1-4H3
InChIKeyVBLOVVUQDIHDJO-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.24
Rot. Bonds7

About 2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine

2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine (PubChem CID 61099083) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine
PubChem CID61099083
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine
SMILESCCC(C)N(CC)C(CN)C(C)c1ccccc1
InChIInChI=1S/C16H28N2/c1-5-13(3)18(6-2)16(12-17)14(4)15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12,17H2,1-4H3
InChIKeyVBLOVVUQDIHDJO-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N,3-diphenylbutane-1,2-diamine
CID 60709858
2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 43274486
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
(3S)-2-methyl-3-phenylbutan-1-amine
CID 143116656
N-butan-2-yl-N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 43274304
2-N-cyclopropyl-2-N-(2-methylpropyl)-3-phenylbutane-1,2-diamine
CID 55001720
2-methoxy-3-phenylbutan-1-amine
CID 66071958
2-fluoro-3-phenylbutan-1-amine
CID 126843894
3-amino-N-butan-2-yl-N-methyl-2-phenylpropanamide
CID 62879219
2-N-(furan-2-ylmethyl)-2-N-methyl-3-phenylbutane-1,2-diamine
CID 61099442
2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206599
ethanamine;1-phenylethylbenzene
CID 19985218

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine (CID 61099083) is 2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine is CCC(C)N(CC)C(CN)C(C)c1ccccc1.
What is the InChIKey of 2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine?
The InChIKey is VBLOVVUQDIHDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-13(3)18(6-2)16(12-17)14(4)15-10-8-7-9-11-15/h7-11,13-14,16H,5-6,12,17H2,1-4H3.
What are the key properties of 2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine?
2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine is sourced from PubChem (CID 61099083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).