4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline

C17H25N — CID 18642462

IUPAC4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline
SMILESCCC/C=C/C1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H25N/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h4-5,10-15H,2-3,6-9,18H2,1H3/b5-4+
InChIKeyCWULMRWDCNFQRJ-SNAWJCMRSA-N
MW243.39 g/mol
LogP4.90
Rot. Bonds4

About 4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline

4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline (PubChem CID 18642462) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline.

Molecular Properties

Compound Name4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline
PubChem CID18642462
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline
SMILESCCC/C=C/C1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H25N/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h4-5,10-15H,2-3,6-9,18H2,1H3/b5-4+
InChIKeyCWULMRWDCNFQRJ-SNAWJCMRSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
4-(4-pent-1-enylcyclohexyl)benzoic acid
CID 54142034
1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54039737
1-(4-pent-1-enylcyclohexyl)-4-(propoxymethyl)benzene
CID 54131029
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene
CID 139863895
[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]carbamodithioic acid
CID 22152650
2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139862535
2-ethyl-6-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139863616
1-(4-but-1-enylcyclohexyl)-4-methylbenzene
CID 123937808
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene
CID 139864116
1-(but-2-enoxymethyl)-4-[4-(4-pent-1-enylcyclohexyl)cyclohexyl]benzene
CID 54484831
1-chloro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]cyclohexyl]benzene
CID 139629437

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline?
The IUPAC name of 4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline (CID 18642462) is 4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline.
What is the SMILES notation for 4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline?
The canonical SMILES for 4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline is CCC/C=C/C1CCC(c2ccc(N)cc2)CC1.
What is the InChIKey of 4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline?
The InChIKey is CWULMRWDCNFQRJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H25N/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h4-5,10-15H,2-3,6-9,18H2,1H3/b5-4+.
What are the key properties of 4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline?
4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline has a molecular weight of 243.39 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline is sourced from PubChem (CID 18642462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).