(2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol

C14H29NO — CID 14671722

IUPAC(2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol
SMILESCC(C)CC[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C14H29NO/c1-11(2)8-9-14(16)13(15)10-12-6-4-3-5-7-12/h11-14,16H,3-10,15H2,1-2H3/t13-,14-/m0/s1
InChIKeyCKGMOMHVIYUFJU-KBPBESRZSA-N
MW227.39 g/mol
LogP3.08
Rot. Bonds6

About (2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol

(2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol (PubChem CID 14671722) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol
PubChem CID14671722
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol
SMILESCC(C)CC[C@H](O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C14H29NO/c1-11(2)8-9-14(16)13(15)10-12-6-4-3-5-7-12/h11-14,16H,3-10,15H2,1-2H3/t13-,14-/m0/s1
InChIKeyCKGMOMHVIYUFJU-KBPBESRZSA-N
XLogP3.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.08
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-cyclohexyl-6-methylheptan-3-ol?
The IUPAC name of (2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol (CID 14671722) is (2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol.
What is the SMILES notation for (2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol?
The canonical SMILES for (2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol is CC(C)CC[C@H](O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol?
The InChIKey is CKGMOMHVIYUFJU-KBPBESRZSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)8-9-14(16)13(15)10-12-6-4-3-5-7-12/h11-14,16H,3-10,15H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol?
(2S,3S)-2-amino-1-cyclohexyl-6-methylheptan-3-ol has a molecular weight of 227.39 g/mol, XLogP of 3.08, 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-cyclohexyl-6-methylheptan-3-ol is sourced from PubChem (CID 14671722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).