2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine

C16H25N — CID 114448948

IUPAC2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
SMILESC=C(C)CCNC(C)(C)CCc1ccccc1
InChIInChI=1S/C16H25N/c1-14(2)11-13-17-16(3,4)12-10-15-8-6-5-7-9-15/h5-9,17H,1,10-13H2,2-4H3
InChIKeyUATCIJTYACKFKZ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.95
Rot. Bonds7

About 2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine

2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine (PubChem CID 114448948) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
PubChem CID114448948
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine
SMILESC=C(C)CCNC(C)(C)CCc1ccccc1
InChIInChI=1S/C16H25N/c1-14(2)11-13-17-16(3,4)12-10-15-8-6-5-7-9-15/h5-9,17H,1,10-13H2,2-4H3
InChIKeyUATCIJTYACKFKZ-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.95
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-4-[4-(4-phenylbutyl)phenyl]-N-prop-1-en-2-ylbutan-2-amine
CID 142171230
N-[2-[(2-methyl-4-phenylbutan-2-yl)amino]ethyl]acetamide
CID 103822680
N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
CID 113231354
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
CID 12855751
2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807
N',N'-diethyl-N-(2-methyl-4-phenylbutan-2-yl)ethane-1,2-diamine
CID 115997324
2,2-dimethyl-6-[(2-methyl-4-phenylbutan-2-yl)amino]hexanenitrile
CID 106709606
2-[(2-methyl-4-phenylbutan-2-yl)amino]ethanesulfonamide
CID 115690814
2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 115690821
N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine
CID 138685115
3-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]phenol
CID 115621741

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine?
The IUPAC name of 2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine (CID 114448948) is 2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine.
What is the SMILES notation for 2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine?
The canonical SMILES for 2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine is C=C(C)CCNC(C)(C)CCc1ccccc1.
What is the InChIKey of 2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine?
The InChIKey is UATCIJTYACKFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-14(2)11-13-17-16(3,4)12-10-15-8-6-5-7-9-15/h5-9,17H,1,10-13H2,2-4H3.
What are the key properties of 2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine?
2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbut-3-enyl)-4-phenylbutan-2-amine is sourced from PubChem (CID 114448948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).