(3R,5S)-5-amino-6-methylheptan-3-ol

C8H19NO — CID 53487701

IUPAC(3R,5S)-5-amino-6-methylheptan-3-ol
SMILESCC[C@@H](O)C[C@H](N)C(C)C
InChIInChI=1S/C8H19NO/c1-4-7(10)5-8(9)6(2)3/h6-8,10H,4-5,9H2,1-3H3/t7-,8+/m1/s1
InChIKeyFFLAQPQLAQIDGP-SFYZADRCSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds4

About (3R,5S)-5-amino-6-methylheptan-3-ol

(3R,5S)-5-amino-6-methylheptan-3-ol (PubChem CID 53487701) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (3R,5S)-5-amino-6-methylheptan-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-amino-6-methylheptan-3-ol
PubChem CID53487701
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(3R,5S)-5-amino-6-methylheptan-3-ol
SMILESCC[C@@H](O)C[C@H](N)C(C)C
InChIInChI=1S/C8H19NO/c1-4-7(10)5-8(9)6(2)3/h6-8,10H,4-5,9H2,1-3H3/t7-,8+/m1/s1
InChIKeyFFLAQPQLAQIDGP-SFYZADRCSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze (3R,5S)-5-amino-6-methylheptan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5R)-heptane-3,5-diol
CID 12641368
carbanide;hexane-2,4-diol;yttrium
CID 59749638
(3R,5S)-2-methylheptane-3,5-diol
CID 134975800
(3S)-2-methylheptane-3,5-diamine
CID 145088114
(3R)-1,1-difluoro-4-methylpentan-3-amine
CID 58921752
(3R)-5,6-diaminohexan-3-ol
CID 89425679
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162
(3R,5S)-5-sulfanylhexan-3-ol
CID 101345541
pentan-3-ol
CID 11428
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
(2S)-1-fluoro-3-methylbutan-2-amine
CID 55290388
[(1S)-1-amino-3-hydroxypentyl]phosphonic acid
CID 15348708

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-amino-6-methylheptan-3-ol?
The IUPAC name of (3R,5S)-5-amino-6-methylheptan-3-ol (CID 53487701) is (3R,5S)-5-amino-6-methylheptan-3-ol.
What is the SMILES notation for (3R,5S)-5-amino-6-methylheptan-3-ol?
The canonical SMILES for (3R,5S)-5-amino-6-methylheptan-3-ol is CC[C@@H](O)C[C@H](N)C(C)C.
What is the InChIKey of (3R,5S)-5-amino-6-methylheptan-3-ol?
The InChIKey is FFLAQPQLAQIDGP-SFYZADRCSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-7(10)5-8(9)6(2)3/h6-8,10H,4-5,9H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of (3R,5S)-5-amino-6-methylheptan-3-ol?
(3R,5S)-5-amino-6-methylheptan-3-ol has a molecular weight of 145.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-amino-6-methylheptan-3-ol is sourced from PubChem (CID 53487701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).