4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine

C24H35N — CID 141045791

IUPAC4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine
SMILESCCN(C1CCC(C2=CCCC=C2)CC1)[C@H](C)CCc1ccccc1
InChIInChI=1S/C24H35N/c1-3-25(20(2)14-15-21-10-6-4-7-11-21)24-18-16-23(17-19-24)22-12-8-5-9-13-22/h4,6-8,10-13,20,23-24H,3,5,9,14-19H2,1-2H3/t20-,23?,24?/m1/s1
InChIKeyCEFYAZOLKFQYJS-QUVATAORSA-N
MW337.55 g/mol
LogP6.16
Rot. Bonds7

About 4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine

4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine (PubChem CID 141045791) has the molecular formula C24H35N and a molecular weight of 337.55 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine
PubChem CID141045791
Molecular FormulaC24H35N
Molecular Weight337.55 g/mol
Exact Mass337.28
IUPAC Name4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine
SMILESCCN(C1CCC(C2=CCCC=C2)CC1)[C@H](C)CCc1ccccc1
InChIInChI=1S/C24H35N/c1-3-25(20(2)14-15-21-10-6-4-7-11-21)24-18-16-23(17-19-24)22-12-8-5-9-13-22/h4,6-8,10-13,20,23-24H,3,5,9,14-19H2,1-2H3/t20-,23?,24?/m1/s1
InChIKeyCEFYAZOLKFQYJS-QUVATAORSA-N
XLogP6.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine with MolForge

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Related Compounds

N-ethyl-N-(4-phenylbutan-2-yl)pyrrolidin-3-amine
CID 63301804
N-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N,N'-dimethyl-N'-phenylethane-1,2-diamine
CID 141045804
3-N-benzyl-3-N-cyclopropylbutane-1,3-diamine
CID 60914508
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70242616
4-[3-[azetidin-3-yl(ethyl)amino]butyl]phenol
CID 66183584
4-cyclohexa-1,5-dien-1-ylcyclohexan-1-ol
CID 142618294
1-(4-cyclohexa-1,5-dien-1-ylcyclohexyl)-N-methylmethanamine
CID 142280064
2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
3,4-dimethylhexylbenzene
CID 72602417
N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70238734
2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 122083043

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine (CID 141045791) is 4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine is CCN(C1CCC(C2=CCCC=C2)CC1)[C@H](C)CCc1ccccc1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine?
The InChIKey is CEFYAZOLKFQYJS-QUVATAORSA-N. The full InChI is InChI=1S/C24H35N/c1-3-25(20(2)14-15-21-10-6-4-7-11-21)24-18-16-23(17-19-24)22-12-8-5-9-13-22/h4,6-8,10-13,20,23-24H,3,5,9,14-19H2,1-2H3/t20-,23?,24?/m1/s1.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine?
4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine has a molecular weight of 337.55 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-N-ethyl-N-[(2R)-4-phenylbutan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 141045791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).