cis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol

C14H27NO — CID 163779195

IUPACcis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol
SMILESC/C=C(\C)CC[C@]1(N)CCC[C@](O)(CC)C1
InChIInChI=1S/C14H27NO/c1-4-12(3)7-10-13(15)8-6-9-14(16,5-2)11-13/h4,16H,5-11,15H2,1-3H3/b12-4+/t13-,14-/m1/s1
InChIKeyMNDIDRBMTBQCQB-AQIXGVPMSA-N
MW225.38 g/mol
LogP3.15
Rot. Bonds4

About cis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol

cis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol (PubChem CID 163779195) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is cis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol
PubChem CID163779195
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Namecis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol
SMILESC/C=C(\C)CC[C@]1(N)CCC[C@](O)(CC)C1
InChIInChI=1S/C14H27NO/c1-4-12(3)7-10-13(15)8-6-9-14(16,5-2)11-13/h4,16H,5-11,15H2,1-3H3/b12-4+/t13-,14-/m1/s1
InChIKeyMNDIDRBMTBQCQB-AQIXGVPMSA-N
XLogP3.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol (CID 163779195) is cis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol is C/C=C(\C)CC[C@]1(N)CCC[C@](O)(CC)C1.
What is the InChIKey of cis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol?
The InChIKey is MNDIDRBMTBQCQB-AQIXGVPMSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-12(3)7-10-13(15)8-6-9-14(16,5-2)11-13/h4,16H,5-11,15H2,1-3H3/b12-4+/t13-,14-/m1/s1.
What are the key properties of cis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol?
cis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-amino-1-ethyl-3-[(E)-3-methylpent-3-enyl]cyclohexan-1-ol is sourced from PubChem (CID 163779195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).