3-amino-2-methylheptan-4-ol

C8H19NO — CID 12696120

IUPAC3-amino-2-methylheptan-4-ol
SMILESCCCC(O)C(N)C(C)C
InChIInChI=1S/C8H19NO/c1-4-5-7(10)8(9)6(2)3/h6-8,10H,4-5,9H2,1-3H3
InChIKeyPGDHOFVZYYJQMN-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds4

About 3-amino-2-methylheptan-4-ol

3-amino-2-methylheptan-4-ol (PubChem CID 12696120) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-amino-2-methylheptan-4-ol.

Molecular Properties

Compound Name3-amino-2-methylheptan-4-ol
PubChem CID12696120
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-amino-2-methylheptan-4-ol
SMILESCCCC(O)C(N)C(C)C
InChIInChI=1S/C8H19NO/c1-4-5-7(10)8(9)6(2)3/h6-8,10H,4-5,9H2,1-3H3
InChIKeyPGDHOFVZYYJQMN-UHFFFAOYSA-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

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Related Compounds

Paecilaminol
CID 10236627
3-Hexanol, 4-amino-2-methyl-
CID 44674
4-Octanol, 3-amino-
CID 55284966
(3S,4R)-3-amino-2-methylnonadecan-4-ol
CID 9857993
(3S,4S,5R)-4-amino-3-methylicosan-5-ol
CID 9967180
(2R,3S)-2-amino-11-methyldodecan-3-ol
CID 44127631
(4S,5R)-4-amino-2-methyltetradecan-5-ol
CID 118735808
(4S,5R)-4-amino-2-methylicosan-5-ol
CID 118735809
(3S,4S,5R)-4-amino-3-methyltetradecan-5-ol
CID 118735810
(2R,3S)-3-amino-5-methylhexan-2-ol
CID 13949647
3-Amino-5-methyl-hexan-2-ol
CID 44309735
(2S,3S)-3-amino-5-methylhexan-2-ol
CID 91056758

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylheptan-4-ol?
The IUPAC name of 3-amino-2-methylheptan-4-ol (CID 12696120) is 3-amino-2-methylheptan-4-ol.
What is the SMILES notation for 3-amino-2-methylheptan-4-ol?
The canonical SMILES for 3-amino-2-methylheptan-4-ol is CCCC(O)C(N)C(C)C.
What is the InChIKey of 3-amino-2-methylheptan-4-ol?
The InChIKey is PGDHOFVZYYJQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-5-7(10)8(9)6(2)3/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 3-amino-2-methylheptan-4-ol?
3-amino-2-methylheptan-4-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 3-amino-2-methylheptan-4-ol is sourced from PubChem (CID 12696120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).