5-(aminomethyl)-2-methylheptan-4-ol

C9H21NO — CID 65187754

IUPAC5-(aminomethyl)-2-methylheptan-4-ol
SMILESCCC(CN)C(O)CC(C)C
InChIInChI=1S/C9H21NO/c1-4-8(6-10)9(11)5-7(2)3/h7-9,11H,4-6,10H2,1-3H3
InChIKeySPWDHULYVABKFJ-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.38
Rot. Bonds5

About 5-(aminomethyl)-2-methylheptan-4-ol

5-(aminomethyl)-2-methylheptan-4-ol (PubChem CID 65187754) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methylheptan-4-ol.

Molecular Properties

Compound Name5-(aminomethyl)-2-methylheptan-4-ol
PubChem CID65187754
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name5-(aminomethyl)-2-methylheptan-4-ol
SMILESCCC(CN)C(O)CC(C)C
InChIInChI=1S/C9H21NO/c1-4-8(6-10)9(11)5-7(2)3/h7-9,11H,4-6,10H2,1-3H3
InChIKeySPWDHULYVABKFJ-UHFFFAOYSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-6,7,7-trimethyloctan-4-ol
CID 65188124
(3R)-3-(aminomethyl)pentan-2-ol
CID 141325021
3-(aminomethyl)heptan-4-ol
CID 54499673
5-amino-2-methylheptan-4-ol
CID 21419745
5-ethylheptane-2,4-diol
CID 87867419
8-methylnonane-3,4,5,6-tetrol
CID 88909679
1-amino-3-ethylpentane-1,4-diol
CID 57220298
5-amino-2,7-dimethyloctan-4-ol
CID 54358847
2-ethyl-4-methylpentane-1,3-diamine
CID 116945412
3-amino-2-ethyl-5-methylhexan-1-ol
CID 116945255
(2S)-1-(dimethylamino)-4-methylpentane-1,2-diol
CID 166674176
2-(1-fluoroethyl)-4-methylpentan-1-amine
CID 105429103

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methylheptan-4-ol?
The IUPAC name of 5-(aminomethyl)-2-methylheptan-4-ol (CID 65187754) is 5-(aminomethyl)-2-methylheptan-4-ol.
What is the SMILES notation for 5-(aminomethyl)-2-methylheptan-4-ol?
The canonical SMILES for 5-(aminomethyl)-2-methylheptan-4-ol is CCC(CN)C(O)CC(C)C.
What is the InChIKey of 5-(aminomethyl)-2-methylheptan-4-ol?
The InChIKey is SPWDHULYVABKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-8(6-10)9(11)5-7(2)3/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2-methylheptan-4-ol?
5-(aminomethyl)-2-methylheptan-4-ol has a molecular weight of 159.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methylheptan-4-ol is sourced from PubChem (CID 65187754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).