N-benzyl-2-methyl-5-phenylhex-5-en-3-amine

C20H25N — CID 102298345

IUPACN-benzyl-2-methyl-5-phenylhex-5-en-3-amine
SMILESC=C(CC(NCc1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C20H25N/c1-16(2)20(21-15-18-10-6-4-7-11-18)14-17(3)19-12-8-5-9-13-19/h4-13,16,20-21H,3,14-15H2,1-2H3
InChIKeyVGKMSEPIJLKGNY-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.90
Rot. Bonds7

About N-benzyl-2-methyl-5-phenylhex-5-en-3-amine

N-benzyl-2-methyl-5-phenylhex-5-en-3-amine (PubChem CID 102298345) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-benzyl-2-methyl-5-phenylhex-5-en-3-amine.

Molecular Properties

Compound NameN-benzyl-2-methyl-5-phenylhex-5-en-3-amine
PubChem CID102298345
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-benzyl-2-methyl-5-phenylhex-5-en-3-amine
SMILESC=C(CC(NCc1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C20H25N/c1-16(2)20(21-15-18-10-6-4-7-11-18)14-17(3)19-12-8-5-9-13-19/h4-13,16,20-21H,3,14-15H2,1-2H3
InChIKeyVGKMSEPIJLKGNY-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-(benzylamino)-4-methylpentanoate
CID 11333802
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(2R)-2-methyl-4-phenylpent-4-en-1-ol
CID 10535285
(3R,4R)-3-(benzylamino)-4-hydroxypentanoic acid
CID 141366612
N-benzyl-2-deuterio-3-methylbutan-2-amine
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1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
CID 130887110
methyl 3-(benzylamino)butanoate
CID 13416927
(2S)-2-(benzylamino)-3-methyl-1,1-diphenylbutan-1-ol
CID 101095551
N-benzyl-1-silylethanamine
CID 173405128
3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzoic acid
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N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-5-phenylhex-5-en-3-amine?
The IUPAC name of N-benzyl-2-methyl-5-phenylhex-5-en-3-amine (CID 102298345) is N-benzyl-2-methyl-5-phenylhex-5-en-3-amine.
What is the SMILES notation for N-benzyl-2-methyl-5-phenylhex-5-en-3-amine?
The canonical SMILES for N-benzyl-2-methyl-5-phenylhex-5-en-3-amine is C=C(CC(NCc1ccccc1)C(C)C)c1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-5-phenylhex-5-en-3-amine?
The InChIKey is VGKMSEPIJLKGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-16(2)20(21-15-18-10-6-4-7-11-18)14-17(3)19-12-8-5-9-13-19/h4-13,16,20-21H,3,14-15H2,1-2H3.
What are the key properties of N-benzyl-2-methyl-5-phenylhex-5-en-3-amine?
N-benzyl-2-methyl-5-phenylhex-5-en-3-amine has a molecular weight of 279.43 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-5-phenylhex-5-en-3-amine is sourced from PubChem (CID 102298345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).