7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol

C16H32N2O3 — CID 163653296

IUPAC7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol
SMILESCCCC1(C)CCCC(C(O)(CN)CN=O)CC(C)(O)C1
InChIInChI=1S/C16H32N2O3/c1-4-7-14(2)8-5-6-13(9-15(3,19)10-14)16(20,11-17)12-18-21/h13,19-20H,4-12,17H2,1-3H3
InChIKeyIOBBYLXDNJTOQI-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.58
Rot. Bonds6

About 7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol

7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol (PubChem CID 163653296) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol.

Molecular Properties

Compound Name7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol
PubChem CID163653296
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol
SMILESCCCC1(C)CCCC(C(O)(CN)CN=O)CC(C)(O)C1
InChIInChI=1S/C16H32N2O3/c1-4-7-14(2)8-5-6-13(9-15(3,19)10-14)16(20,11-17)12-18-21/h13,19-20H,4-12,17H2,1-3H3
InChIKeyIOBBYLXDNJTOQI-UHFFFAOYSA-N
XLogP2.58
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,3S,5S)-1,3,5-trimethyl-3-propylcyclohexan-1-ol
CID 10631367
3-tert-butyl-1-methylcyclohexan-1-ol
CID 58395164
1,2-dimethyl-2-propylcyclopentan-1-ol
CID 131101146
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
7-methyl-7-propylspiro[2.5]octane
CID 20725719
cis-(1R,3R)-1-propylcyclohexane-1,3-diol
CID 172696211
1-methyl-1-(nitrosomethyl)cyclopentane
CID 88905050
1,1,3-trimethyl-3-propylcyclopentane
CID 123680922
3-(2,2,6-trimethylcyclohexyl)hexan-3-ol
CID 141103518
1-amino-2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)propan-2-ol
CID 64821615
3-methyl-3-propylcyclobutan-1-ol
CID 176695385
trans-(1S,2R)-1,2-dipropylcyclopentan-1-ol
CID 135054569

Frequently Asked Questions

What is the IUPAC name of 7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol?
The IUPAC name of 7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol (CID 163653296) is 7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol.
What is the SMILES notation for 7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol?
The canonical SMILES for 7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol is CCCC1(C)CCCC(C(O)(CN)CN=O)CC(C)(O)C1.
What is the InChIKey of 7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol?
The InChIKey is IOBBYLXDNJTOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-4-7-14(2)8-5-6-13(9-15(3,19)10-14)16(20,11-17)12-18-21/h13,19-20H,4-12,17H2,1-3H3.
What are the key properties of 7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol?
7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol has a molecular weight of 300.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-amino-2-hydroxy-3-nitrosopropan-2-yl)-1,3-dimethyl-3-propylcyclooctan-1-ol is sourced from PubChem (CID 163653296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).