5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol

C19H33NO — CID 71235625

IUPAC5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol
SMILESCC1(C2CCCCC2)C(N)C=CC(C2CCCCC2)C1O
InChIInChI=1S/C19H33NO/c1-19(15-10-6-3-7-11-15)17(20)13-12-16(18(19)21)14-8-4-2-5-9-14/h12-18,21H,2-11,20H2,1H3
InChIKeyDPPCIFIKURBRJY-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.03
Rot. Bonds2

About 5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol

5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol (PubChem CID 71235625) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol
PubChem CID71235625
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol
SMILESCC1(C2CCCCC2)C(N)C=CC(C2CCCCC2)C1O
InChIInChI=1S/C19H33NO/c1-19(15-10-6-3-7-11-15)17(20)13-12-16(18(19)21)14-8-4-2-5-9-14/h12-18,21H,2-11,20H2,1H3
InChIKeyDPPCIFIKURBRJY-UHFFFAOYSA-N
XLogP4.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 66708848
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CID 66708878
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CID 68235662
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CID 70107117
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CID 70382412
CID 70382412
CID 70898710
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CID 88330800

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol?
The IUPAC name of 5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol (CID 71235625) is 5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol.
What is the SMILES notation for 5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol?
The canonical SMILES for 5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol is CC1(C2CCCCC2)C(N)C=CC(C2CCCCC2)C1O.
What is the InChIKey of 5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol?
The InChIKey is DPPCIFIKURBRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-19(15-10-6-3-7-11-15)17(20)13-12-16(18(19)21)14-8-4-2-5-9-14/h12-18,21H,2-11,20H2,1H3.
What are the key properties of 5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol?
5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol has a molecular weight of 291.48 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,6-dicyclohexyl-6-methylcyclohex-3-en-1-ol is sourced from PubChem (CID 71235625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).