(3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride

C10H24ClNO — CID 171237157

IUPAC(3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride
SMILESCC(C)[C@@H](O)C[C@H](N)C(C)(C)C.Cl
InChIInChI=1S/C10H23NO.ClH/c1-7(2)8(12)6-9(11)10(3,4)5;/h7-9,12H,6,11H2,1-5H3;1H/t8-,9-;/m0./s1
InChIKeyBZKDPZIMVSPWQF-OZZZDHQUSA-N
MW209.76 g/mol
LogP2.19
Rot. Bonds3

About (3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride

(3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride (PubChem CID 171237157) has the molecular formula C10H24ClNO and a molecular weight of 209.76 g/mol. Its IUPAC name is (3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride
PubChem CID171237157
Molecular FormulaC10H24ClNO
Molecular Weight209.76 g/mol
Exact Mass209.15
IUPAC Name(3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride
SMILESCC(C)[C@@H](O)C[C@H](N)C(C)(C)C.Cl
InChIInChI=1S/C10H23NO.ClH/c1-7(2)8(12)6-9(11)10(3,4)5;/h7-9,12H,6,11H2,1-5H3;1H/t8-,9-;/m0./s1
InChIKeyBZKDPZIMVSPWQF-OZZZDHQUSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.76
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-Amino-2,2,4,4-tetramethylcyclobutan-1-ol hydrochloride
CID 138987813
6-Amino-2,2-dimethylheptan-3-ol
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(2S,3R,4S)-2-amino-6-methylheptane-3,4-diol
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(4S,5S)-4-amino-2-methylnonan-5-ol
CID 10487437
(3S,4S)-4-amino-6-methylheptan-3-ol
CID 10796876
3-Amino-2-methylheptan-4-ol
CID 12696120
3-Amino-6-methylheptan-2-ol
CID 13245634
5-Amino-2,2-dimethylhexan-3-ol
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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride?
The IUPAC name of (3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride (CID 171237157) is (3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride.
What is the SMILES notation for (3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride?
The canonical SMILES for (3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride is CC(C)[C@@H](O)C[C@H](N)C(C)(C)C.Cl.
What is the InChIKey of (3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride?
The InChIKey is BZKDPZIMVSPWQF-OZZZDHQUSA-N. The full InChI is InChI=1S/C10H23NO.ClH/c1-7(2)8(12)6-9(11)10(3,4)5;/h7-9,12H,6,11H2,1-5H3;1H/t8-,9-;/m0./s1.
What are the key properties of (3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride?
(3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride has a molecular weight of 209.76 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-amino-2,6,6-trimethylheptan-3-ol;hydrochloride is sourced from PubChem (CID 171237157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).