ethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine

C19H37N — CID 155724054

IUPACethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine
SMILESC=C(C)NC1CCCCC1.C=CC(CC)=C(C)C.CC
InChIInChI=1S/C9H17N.C8H14.C2H6/c1-8(2)10-9-6-4-3-5-7-9;1-5-8(6-2)7(3)4;1-2/h9-10H,1,3-7H2,2H3;5H,1,6H2,2-4H3;1-2H3
InChIKeySXKMHWQXUWDHJO-UHFFFAOYSA-N
MW279.51 g/mol
LogP6.39
Rot. Bonds4

About ethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine

ethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine (PubChem CID 155724054) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is ethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine.

Molecular Properties

Compound Nameethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine
PubChem CID155724054
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Nameethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine
SMILESC=C(C)NC1CCCCC1.C=CC(CC)=C(C)C.CC
InChIInChI=1S/C9H17N.C8H14.C2H6/c1-8(2)10-9-6-4-3-5-7-9;1-5-8(6-2)7(3)4;1-2/h9-10H,1,3-7H2,2H3;5H,1,6H2,2-4H3;1-2H3
InChIKeySXKMHWQXUWDHJO-UHFFFAOYSA-N
XLogP6.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine?
The IUPAC name of ethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine (CID 155724054) is ethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine.
What is the SMILES notation for ethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine?
The canonical SMILES for ethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine is C=C(C)NC1CCCCC1.C=CC(CC)=C(C)C.CC.
What is the InChIKey of ethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine?
The InChIKey is SXKMHWQXUWDHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H14.C2H6/c1-8(2)10-9-6-4-3-5-7-9;1-5-8(6-2)7(3)4;1-2/h9-10H,1,3-7H2,2H3;5H,1,6H2,2-4H3;1-2H3.
What are the key properties of ethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine?
ethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine has a molecular weight of 279.51 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-4-methylpenta-1,3-diene;N-prop-1-en-2-ylcyclohexanamine is sourced from PubChem (CID 155724054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).