N-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine

C19H25N — CID 143466576

IUPACN-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine
SMILESC=C(CC)NCCC(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C19H25N/c1-3-16(2)20-15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4,6-8,10-13,19-20H,2-3,5,9,14-15H2,1H3
InChIKeyKTTZZKZLJJEZIX-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.95
Rot. Bonds7

About N-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine

N-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine (PubChem CID 143466576) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine.

Molecular Properties

Compound NameN-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine
PubChem CID143466576
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine
SMILESC=C(CC)NCCC(C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C19H25N/c1-3-16(2)20-15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4,6-8,10-13,19-20H,2-3,5,9,14-15H2,1H3
InChIKeyKTTZZKZLJJEZIX-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-cyclohexa-1,5-dien-1-yl-4-phenylbut-1-en-2-yl)-2-methylbutan-2-amine
CID 165399029
1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane
CID 156726896
N-(2-cyclohexa-1,5-dien-1-ylethyl)but-1-en-2-amine
CID 144925841
2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene
CID 173281402
(2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol
CID 165151813
2-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]cyclohepta-1,3,5-triene;propane
CID 142964914
1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene
CID 142914167
(1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine
CID 142348400
2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol
CID 58465527
N-benzylbut-1-en-2-amine
CID 12705420
3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 143394771
1-cyclohexa-1,5-dien-1-yl-4-[4-[1-(4-phenylphenyl)propyl]phenyl]benzene
CID 144527503

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine?
The IUPAC name of N-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine (CID 143466576) is N-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine.
What is the SMILES notation for N-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine?
The canonical SMILES for N-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine is C=C(CC)NCCC(C1=CCCC=C1)c1ccccc1.
What is the InChIKey of N-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine?
The InChIKey is KTTZZKZLJJEZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-3-16(2)20-15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4,6-8,10-13,19-20H,2-3,5,9,14-15H2,1H3.
What are the key properties of N-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine?
N-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine has a molecular weight of 267.42 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexa-1,5-dien-1-yl-3-phenylpropyl)but-1-en-2-amine is sourced from PubChem (CID 143466576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).