6-amino-2-methylheptan-2-ol

C8H19NO — CID 3590

💊View drug profile → heptaminol
IUPAC6-amino-2-methylheptan-2-ol
SMILESCC(N)CCCC(C)(C)O
InChIInChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3
InChIKeyLREQLEBVOXIEOM-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.27
Rot. Bonds4

About 6-amino-2-methylheptan-2-ol

6-amino-2-methylheptan-2-ol (PubChem CID 3590) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 6-amino-2-methylheptan-2-ol.

Molecular Properties

Compound Name6-amino-2-methylheptan-2-ol
PubChem CID3590
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name6-amino-2-methylheptan-2-ol
SMILESCC(N)CCCC(C)(C)O
InChIInChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3
InChIKeyLREQLEBVOXIEOM-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Heptaminol Hydrochloride
CID 10969
2-Heptanol, 6-amino-2-methyl-, (6S)-
CID 6604269
6-Amino-2-methylheptan-2-ol;hydron;chloride
CID 74764362
Aranthol
CID 28255
1-Amino-2-methyl-heptan-2-ol
CID 44272175
Aranthol hydrochloride
CID 28254
3-Aethyl-6-methyl-4-aminoheptanol-3
CID 12379465
Aminodimethyloctadecanol
CID 140119201
3-Amino-7,7,7-trifluoro-2-methylheptan-2-ol
CID 86718189
6-Amino-2-methylheptan-2-ol chloride
CID 46864216
11-Amino-2-methylundecan-2-ol
CID 15531485
2,10-Diamino-6-methylundecan-6-ol
CID 134833140

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methylheptan-2-ol?
The IUPAC name of 6-amino-2-methylheptan-2-ol (CID 3590) is 6-amino-2-methylheptan-2-ol.
What is the SMILES notation for 6-amino-2-methylheptan-2-ol?
The canonical SMILES for 6-amino-2-methylheptan-2-ol is CC(N)CCCC(C)(C)O.
What is the InChIKey of 6-amino-2-methylheptan-2-ol?
The InChIKey is LREQLEBVOXIEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3.
What are the key properties of 6-amino-2-methylheptan-2-ol?
6-amino-2-methylheptan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methylheptan-2-ol is sourced from PubChem (CID 3590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).