(2S,3S)-2-amino-1-cyclohexylheptan-3-ol

C13H27NO — CID 14775291

IUPAC(2S,3S)-2-amino-1-cyclohexylheptan-3-ol
SMILESCCCC[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C13H27NO/c1-2-3-9-13(15)12(14)10-11-7-5-4-6-8-11/h11-13,15H,2-10,14H2,1H3/t12-,13-/m0/s1
InChIKeyJGAUTXOQEZHOHF-STQMWFEESA-N
MW213.36 g/mol
LogP2.84
Rot. Bonds6

About (2S,3S)-2-amino-1-cyclohexylheptan-3-ol

(2S,3S)-2-amino-1-cyclohexylheptan-3-ol (PubChem CID 14775291) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2S,3S)-2-amino-1-cyclohexylheptan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-amino-1-cyclohexylheptan-3-ol
PubChem CID14775291
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2S,3S)-2-amino-1-cyclohexylheptan-3-ol
SMILESCCCC[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C13H27NO/c1-2-3-9-13(15)12(14)10-11-7-5-4-6-8-11/h11-13,15H,2-10,14H2,1H3/t12-,13-/m0/s1
InChIKeyJGAUTXOQEZHOHF-STQMWFEESA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-1-cyclohexylheptan-3-ol?
The IUPAC name of (2S,3S)-2-amino-1-cyclohexylheptan-3-ol (CID 14775291) is (2S,3S)-2-amino-1-cyclohexylheptan-3-ol.
What is the SMILES notation for (2S,3S)-2-amino-1-cyclohexylheptan-3-ol?
The canonical SMILES for (2S,3S)-2-amino-1-cyclohexylheptan-3-ol is CCCC[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2S,3S)-2-amino-1-cyclohexylheptan-3-ol?
The InChIKey is JGAUTXOQEZHOHF-STQMWFEESA-N. The full InChI is InChI=1S/C13H27NO/c1-2-3-9-13(15)12(14)10-11-7-5-4-6-8-11/h11-13,15H,2-10,14H2,1H3/t12-,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-1-cyclohexylheptan-3-ol?
(2S,3S)-2-amino-1-cyclohexylheptan-3-ol has a molecular weight of 213.36 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-1-cyclohexylheptan-3-ol is sourced from PubChem (CID 14775291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).