(5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol

C12H25NO — CID 10888913

IUPAC(5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol
SMILESC=C(C)CC[C@@H](O)C(CC)CCCN
InChIInChI=1S/C12H25NO/c1-4-11(6-5-9-13)12(14)8-7-10(2)3/h11-12,14H,2,4-9,13H2,1,3H3/t11?,12-/m1/s1
InChIKeyGKVHSJNHPJPZTO-PIJUOVFKSA-N
MW199.34 g/mol
LogP2.47
Rot. Bonds8

About (5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol

(5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol (PubChem CID 10888913) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol.

Molecular Properties

Compound Name(5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol
PubChem CID10888913
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol
SMILESC=C(C)CC[C@@H](O)C(CC)CCCN
InChIInChI=1S/C12H25NO/c1-4-11(6-5-9-13)12(14)8-7-10(2)3/h11-12,14H,2,4-9,13H2,1,3H3/t11?,12-/m1/s1
InChIKeyGKVHSJNHPJPZTO-PIJUOVFKSA-N
XLogP2.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2-methyldec-1-en-5-amine
CID 105039210
6-methylhept-6-en-3-amine
CID 89243580
6-methoxy-2-methylnon-1-en-5-ol
CID 114474042
2,3,7-trimethyloct-7-en-4-ol
CID 115834419
7-ethylpentadecan-8-ol
CID 91407819
6-ethyloctadecan-7-ol
CID 22321194
4-ethyloctane-1,3-diol
CID 57022453
4-ethylnonan-3-ol
CID 135150430
3-(aminomethyl)heptan-4-ol
CID 54499673
(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol
CID 146552954
5-ethyl-2-methylnon-1-ene
CID 23205953
4-ethylnonadecane-1,3-diol
CID 57082750

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol?
The IUPAC name of (5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol (CID 10888913) is (5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol.
What is the SMILES notation for (5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol?
The canonical SMILES for (5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol is C=C(C)CC[C@@H](O)C(CC)CCCN.
What is the InChIKey of (5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol?
The InChIKey is GKVHSJNHPJPZTO-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11(6-5-9-13)12(14)8-7-10(2)3/h11-12,14H,2,4-9,13H2,1,3H3/t11?,12-/m1/s1.
What are the key properties of (5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol?
(5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol has a molecular weight of 199.34 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-9-amino-6-ethyl-2-methylnon-1-en-5-ol is sourced from PubChem (CID 10888913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).