2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine

C18H29N — CID 102640980

IUPAC2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H29N/c1-7-18(6,13-19-15(4)5)12-16-8-10-17(11-9-16)14(2)3/h7-11,14-15,19H,1,12-13H2,2-6H3
InChIKeyKJRWPCVKJUNYMB-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.54
Rot. Bonds7

About 2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine

2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine (PubChem CID 102640980) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine
PubChem CID102640980
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H29N/c1-7-18(6,13-19-15(4)5)12-16-8-10-17(11-9-16)14(2)3/h7-11,14-15,19H,1,12-13H2,2-6H3
InChIKeyKJRWPCVKJUNYMB-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-ol
CID 102641912
2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine
CID 102641068
2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640971
2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641014
2-[(4-bromophenyl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640528
2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
CID 102641053
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640962
2,2-dimethyl-3-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 62724741
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine
CID 102641061
1-(2-methyl-2-phenylpropyl)-4-propan-2-ylbenzene
CID 57304715
2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine (CID 102640980) is 2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine is C=CC(C)(CNC(C)C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine?
The InChIKey is KJRWPCVKJUNYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-7-18(6,13-19-15(4)5)12-16-8-10-17(11-9-16)14(2)3/h7-11,14-15,19H,1,12-13H2,2-6H3.
What are the key properties of 2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine?
2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine is sourced from PubChem (CID 102640980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).