4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol

C14H27NO — CID 39755788

IUPAC4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol
SMILESCC(C)=CCC[C@H](C)NC1CCC(O)CC1
InChIInChI=1S/C14H27NO/c1-11(2)5-4-6-12(3)15-13-7-9-14(16)10-8-13/h5,12-16H,4,6-10H2,1-3H3/t12-,13?,14?/m0/s1
InChIKeyNOLRTYXIILBLKO-HSBZDZAISA-N
MW225.38 g/mol
LogP3.01
Rot. Bonds5

About 4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol

4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol (PubChem CID 39755788) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol
PubChem CID39755788
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol
SMILESCC(C)=CCC[C@H](C)NC1CCC(O)CC1
InChIInChI=1S/C14H27NO/c1-11(2)5-4-6-12(3)15-13-7-9-14(16)10-8-13/h5,12-16H,4,6-10H2,1-3H3/t12-,13?,14?/m0/s1
InChIKeyNOLRTYXIILBLKO-HSBZDZAISA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.01
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 4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol (CID 39755788) is 4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol is CC(C)=CCC[C@H](C)NC1CCC(O)CC1.
What is the InChIKey of 4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol?
The InChIKey is NOLRTYXIILBLKO-HSBZDZAISA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)5-4-6-12(3)15-13-7-9-14(16)10-8-13/h5,12-16H,4,6-10H2,1-3H3/t12-,13?,14?/m0/s1.
What are the key properties of 4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol?
4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-6-methylhept-5-en-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 39755788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).