N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline

C18H27N — CID 145235011

IUPACN-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline
SMILESC/C=C/CCC1CCC(c2ccc(NC)cc2)CC1
InChIInChI=1S/C18H27N/c1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19-2)14-12-17/h3-4,11-16,19H,5-10H2,1-2H3/b4-3+
InChIKeySXFPRYUZQTYLKK-ONEGZZNKSA-N
MW257.42 g/mol
LogP5.36
Rot. Bonds5

About N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline

N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline (PubChem CID 145235011) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline
PubChem CID145235011
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline
SMILESC/C=C/CCC1CCC(c2ccc(NC)cc2)CC1
InChIInChI=1S/C18H27N/c1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19-2)14-12-17/h3-4,11-16,19H,5-10H2,1-2H3/b4-3+
InChIKeySXFPRYUZQTYLKK-ONEGZZNKSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.36
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

1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 23569878
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 90851884
1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene
CID 18341909
4-(4-butylcyclohexyl)-N-methylaniline
CID 21348956
1,2,3-trifluoro-5-[4-[2-(4-pent-3-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54176801
1,2,3-trimethyl-5-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]benzene
CID 54434851
2-[4-(4-methylphenyl)cyclohexyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869936
1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene
CID 54254660
N-methyl-4-(4-pentylcyclohexyl)aniline;prop-2-enal
CID 142282274
6-fluoro-2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848472
1-[2-(4-pent-3-enylcyclohexyl)ethyl]-4-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 90889920
1-(4-but-3-enylcyclohexyl)-4-(4-methylphenyl)benzene;1-(4-ethenylcyclohexyl)-4-(4-methylphenyl)benzene;1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene;1-methyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 161280634

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline?
The IUPAC name of N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline (CID 145235011) is N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline.
What is the SMILES notation for N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline?
The canonical SMILES for N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline is C/C=C/CCC1CCC(c2ccc(NC)cc2)CC1.
What is the InChIKey of N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline?
The InChIKey is SXFPRYUZQTYLKK-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H27N/c1-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(19-2)14-12-17/h3-4,11-16,19H,5-10H2,1-2H3/b4-3+.
What are the key properties of N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline?
N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline has a molecular weight of 257.42 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]aniline is sourced from PubChem (CID 145235011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).