N-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine

C20H30N2 — CID 143959375

IUPACN-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine
SMILESC=C/C(=C(/NC1CCCCC1)N1C=CC=CC1=C)C(C)CC
InChIInChI=1S/C20H30N2/c1-5-16(3)19(6-2)20(21-18-13-8-7-9-14-18)22-15-11-10-12-17(22)4/h6,10-12,15-16,18,21H,2,4-5,7-9,13-14H2,1,3H3/b20-19+
InChIKeyHUOCRODUWFBDTC-FMQUCBEESA-N
MW298.47 g/mol
LogP5.25
Rot. Bonds6

About N-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine

N-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine (PubChem CID 143959375) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine
PubChem CID143959375
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC NameN-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine
SMILESC=C/C(=C(/NC1CCCCC1)N1C=CC=CC1=C)C(C)CC
InChIInChI=1S/C20H30N2/c1-5-16(3)19(6-2)20(21-18-13-8-7-9-14-18)22-15-11-10-12-17(22)4/h6,10-12,15-16,18,21H,2,4-5,7-9,13-14H2,1,3H3/b20-19+
InChIKeyHUOCRODUWFBDTC-FMQUCBEESA-N
XLogP5.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine?
The IUPAC name of N-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine (CID 143959375) is N-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine.
What is the SMILES notation for N-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine?
The canonical SMILES for N-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine is C=C/C(=C(/NC1CCCCC1)N1C=CC=CC1=C)C(C)CC.
What is the InChIKey of N-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine?
The InChIKey is HUOCRODUWFBDTC-FMQUCBEESA-N. The full InChI is InChI=1S/C20H30N2/c1-5-16(3)19(6-2)20(21-18-13-8-7-9-14-18)22-15-11-10-12-17(22)4/h6,10-12,15-16,18,21H,2,4-5,7-9,13-14H2,1,3H3/b20-19+.
What are the key properties of N-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine?
N-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine has a molecular weight of 298.47 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-ethenyl-3-methyl-1-(2-methylidene-1-pyridinyl)pent-1-enyl]cyclohexanamine is sourced from PubChem (CID 143959375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).