(3R)-7-amino-3-methylheptan-2-ol

C8H19NO — CID 126613359

IUPAC(3R)-7-amino-3-methylheptan-2-ol
SMILESCC(O)[C@H](C)CCCCN
InChIInChI=1S/C8H19NO/c1-7(8(2)10)5-3-4-6-9/h7-8,10H,3-6,9H2,1-2H3/t7-,8?/m1/s1
InChIKeyRFJCRIWTWWSVOL-GVHYBUMESA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds5

About (3R)-7-amino-3-methylheptan-2-ol

(3R)-7-amino-3-methylheptan-2-ol (PubChem CID 126613359) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (3R)-7-amino-3-methylheptan-2-ol.

Molecular Properties

Compound Name(3R)-7-amino-3-methylheptan-2-ol
PubChem CID126613359
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(3R)-7-amino-3-methylheptan-2-ol
SMILESCC(O)[C@H](C)CCCCN
InChIInChI=1S/C8H19NO/c1-7(8(2)10)5-3-4-6-9/h7-8,10H,3-6,9H2,1-2H3/t7-,8?/m1/s1
InChIKeyRFJCRIWTWWSVOL-GVHYBUMESA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyldecane-1,10-diamine
CID 118234620
2-methyldecane-1,1,10-triamine
CID 175230718
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
(4S,5S)-4-methylhexane-1,5-diol
CID 124511959
(2S)-3,9-dimethylundecan-2-ol
CID 101151522
propane-1,3-diamine;bis(propan-2-ol)
CID 87899449
4,5-dimethylhexan-1-amine
CID 55283993
36-methylheptatriacontan-1-amine
CID 134324173
14-aminotetradecane-1,1-diol
CID 87370531
butane;ethane;3-methylheptan-2-ol
CID 176696047
pentacosane-1,13,25-triamine
CID 174653759
(2S,3R)-3,7-dimethyltridecan-2-ol
CID 11401930

Frequently Asked Questions

What is the IUPAC name of (3R)-7-amino-3-methylheptan-2-ol?
The IUPAC name of (3R)-7-amino-3-methylheptan-2-ol (CID 126613359) is (3R)-7-amino-3-methylheptan-2-ol.
What is the SMILES notation for (3R)-7-amino-3-methylheptan-2-ol?
The canonical SMILES for (3R)-7-amino-3-methylheptan-2-ol is CC(O)[C@H](C)CCCCN.
What is the InChIKey of (3R)-7-amino-3-methylheptan-2-ol?
The InChIKey is RFJCRIWTWWSVOL-GVHYBUMESA-N. The full InChI is InChI=1S/C8H19NO/c1-7(8(2)10)5-3-4-6-9/h7-8,10H,3-6,9H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of (3R)-7-amino-3-methylheptan-2-ol?
(3R)-7-amino-3-methylheptan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-amino-3-methylheptan-2-ol is sourced from PubChem (CID 126613359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).