5-amino-2-methylheptan-4-ol

C8H19NO — CID 21419745

IUPAC5-amino-2-methylheptan-4-ol
SMILESCCC(N)C(O)CC(C)C
InChIInChI=1S/C8H19NO/c1-4-7(9)8(10)5-6(2)3/h6-8,10H,4-5,9H2,1-3H3
InChIKeyAIVGNBKYLSJVOU-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.13
Rot. Bonds4

About 5-amino-2-methylheptan-4-ol

5-amino-2-methylheptan-4-ol (PubChem CID 21419745) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 5-amino-2-methylheptan-4-ol.

Molecular Properties

Compound Name5-amino-2-methylheptan-4-ol
PubChem CID21419745
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name5-amino-2-methylheptan-4-ol
SMILESCCC(N)C(O)CC(C)C
InChIInChI=1S/C8H19NO/c1-4-7(9)8(10)5-6(2)3/h6-8,10H,4-5,9H2,1-3H3
InChIKeyAIVGNBKYLSJVOU-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

5-amino-2,7-dimethyloctan-4-ol
CID 54358847
(3R,4S)-4-aminohexan-3-ol
CID 640991
3-amino-1-fluoropentan-2-ol
CID 10772967
4-amino-6-methylheptan-3-ol;carbonic acid
CID 88724279
(4S,6R)-4,6-diamino-2,8-dimethylnonan-5-ol
CID 10512329
8-methylnonane-3,4,5,6-tetrol
CID 88909679
5-(aminomethyl)-2-methylheptan-4-ol
CID 65187754
(1R,2R)-1,2-diamino-4-methylpentan-1-ol
CID 141008586
(4S)-1,4-diaminohexan-3-ol
CID 149307886
3-amino-5-methylhexane-1,2-diol
CID 85255378
(2R)-2-aminobutane-1,1-diol
CID 148517870
4-amino-3-(2-methylpropyl)hexan-1-ol
CID 66089146

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylheptan-4-ol?
The IUPAC name of 5-amino-2-methylheptan-4-ol (CID 21419745) is 5-amino-2-methylheptan-4-ol.
What is the SMILES notation for 5-amino-2-methylheptan-4-ol?
The canonical SMILES for 5-amino-2-methylheptan-4-ol is CCC(N)C(O)CC(C)C.
What is the InChIKey of 5-amino-2-methylheptan-4-ol?
The InChIKey is AIVGNBKYLSJVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-7(9)8(10)5-6(2)3/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of 5-amino-2-methylheptan-4-ol?
5-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 5-amino-2-methylheptan-4-ol is sourced from PubChem (CID 21419745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).