5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane

C23H45NO — CID 143064661

IUPAC5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane
SMILESC=C(OC)C(N)CCC1CCCCC1.CCCCCC1CCCCC1
InChIInChI=1S/C12H23NO.C11H22/c1-10(14-2)12(13)9-8-11-6-4-3-5-7-11;1-2-3-5-8-11-9-6-4-7-10-11/h11-12H,1,3-9,13H2,2H3;11H,2-10H2,1H3
InChIKeySHFSWWMWZSIPKZ-UHFFFAOYSA-N
MW351.62 g/mol
LogP6.98
Rot. Bonds9

About 5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane

5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane (PubChem CID 143064661) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is 5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane.

Molecular Properties

Compound Name5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane
PubChem CID143064661
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane
SMILESC=C(OC)C(N)CCC1CCCCC1.CCCCCC1CCCCC1
InChIInChI=1S/C12H23NO.C11H22/c1-10(14-2)12(13)9-8-11-6-4-3-5-7-11;1-2-3-5-8-11-9-6-4-7-10-11/h11-12H,1,3-9,13H2,2H3;11H,2-10H2,1H3
InChIKeySHFSWWMWZSIPKZ-UHFFFAOYSA-N
XLogP6.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane?
The IUPAC name of 5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane (CID 143064661) is 5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane.
What is the SMILES notation for 5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane?
The canonical SMILES for 5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane is C=C(OC)C(N)CCC1CCCCC1.CCCCCC1CCCCC1.
What is the InChIKey of 5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane?
The InChIKey is SHFSWWMWZSIPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C11H22/c1-10(14-2)12(13)9-8-11-6-4-3-5-7-11;1-2-3-5-8-11-9-6-4-7-10-11/h11-12H,1,3-9,13H2,2H3;11H,2-10H2,1H3.
What are the key properties of 5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane?
5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane has a molecular weight of 351.62 g/mol, XLogP of 6.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-methoxypent-1-en-3-amine;pentylcyclohexane is sourced from PubChem (CID 143064661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).