3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol

C15H29NO — CID 122500309

IUPAC3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol
SMILESC=C[C@H](NC(C)(C)C1CCCC(O)C1)C(C)C
InChIInChI=1S/C15H29NO/c1-6-14(11(2)3)16-15(4,5)12-8-7-9-13(17)10-12/h6,11-14,16-17H,1,7-10H2,2-5H3/t12?,13?,14-/m0/s1
InChIKeyOXZSAHZDMIAZJY-RUXDESIVSA-N
MW239.40 g/mol
LogP3.12
Rot. Bonds5

About 3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol

3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol (PubChem CID 122500309) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol
PubChem CID122500309
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol
SMILESC=C[C@H](NC(C)(C)C1CCCC(O)C1)C(C)C
InChIInChI=1S/C15H29NO/c1-6-14(11(2)3)16-15(4,5)12-8-7-9-13(17)10-12/h6,11-14,16-17H,1,7-10H2,2-5H3/t12?,13?,14-/m0/s1
InChIKeyOXZSAHZDMIAZJY-RUXDESIVSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.12
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 3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol (CID 122500309) is 3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol is C=C[C@H](NC(C)(C)C1CCCC(O)C1)C(C)C.
What is the InChIKey of 3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol?
The InChIKey is OXZSAHZDMIAZJY-RUXDESIVSA-N. The full InChI is InChI=1S/C15H29NO/c1-6-14(11(2)3)16-15(4,5)12-8-7-9-13(17)10-12/h6,11-14,16-17H,1,7-10H2,2-5H3/t12?,13?,14-/m0/s1.
What are the key properties of 3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol?
3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 122500309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).