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

C17H30N2 — CID 43274486

IUPAC2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
SMILESCCC(C)N(CC)C(C(C)C)C(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-6-14(5)19(7-2)17(13(3)4)16(18)15-11-9-8-10-12-15/h8-14,16-17H,6-7,18H2,1-5H3
InChIKeyAPSDBAVALXFASI-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.83
Rot. Bonds7

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

2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine (PubChem CID 43274486) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
PubChem CID43274486
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
SMILESCCC(C)N(CC)C(C(C)C)C(N)c1ccccc1
InChIInChI=1S/C17H30N2/c1-6-14(5)19(7-2)17(13(3)4)16(18)15-11-9-8-10-12-15/h8-14,16-17H,6-7,18H2,1-5H3
InChIKeyAPSDBAVALXFASI-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine
CID 43295709
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 63954327
2-N-butan-2-yl-2-N-ethyl-3-phenylbutane-1,2-diamine
CID 61099083
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
2-N-butan-2-yl-2-N-butyl-1-phenylpropane-1,2-diamine
CID 55004777
2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
CID 159334217
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylpropane-1,2-diamine
CID 61436521
2-N-ethyl-2-N-(2-methylpropyl)-1-phenylpropane-1,2-diamine
CID 43273646
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine
CID 63467588
N'-ethyl-1,2-diphenyl-N'-propylethane-1,2-diamine
CID 43268684

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine (CID 43274486) is 2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine is CCC(C)N(CC)C(C(C)C)C(N)c1ccccc1.
What is the InChIKey of 2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine?
The InChIKey is APSDBAVALXFASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-14(5)19(7-2)17(13(3)4)16(18)15-11-9-8-10-12-15/h8-14,16-17H,6-7,18H2,1-5H3.
What are the key properties of 2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine?
2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.83, 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-methyl-1-phenylbutane-1,2-diamine is sourced from PubChem (CID 43274486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).