4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol

C10H23NO — CID 79134647

IUPAC4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol
SMILESCCC(CN)C(O)(CC)C(C)C
InChIInChI=1S/C10H23NO/c1-5-9(7-11)10(12,6-2)8(3)4/h8-9,12H,5-7,11H2,1-4H3
InChIKeyATDOXQSCFFNHDA-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.77
Rot. Bonds5

About 4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol

4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol (PubChem CID 79134647) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol
PubChem CID79134647
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol
SMILESCCC(CN)C(O)(CC)C(C)C
InChIInChI=1S/C10H23NO/c1-5-9(7-11)10(12,6-2)8(3)4/h8-9,12H,5-7,11H2,1-4H3
InChIKeyATDOXQSCFFNHDA-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)hexane-3,3-diol
CID 175462556
3-(aminomethyl)-4,5-dimethylheptan-4-ol
CID 79134739
4-(aminomethyl)-3-ethylhexane-3-thiol
CID 174325507
2-(trifluoromethyl)butan-1-amine
CID 10351789
4-(aminomethyl)-3-ethylheptan-3-ol
CID 79416340
4-(aminomethyl)-2,3,4-trimethylhexan-3-ol
CID 79127301
2,5,5-trimethyl-3-propan-2-ylheptan-3-ol
CID 156689537
5-(aminomethyl)-4,4-dimethylheptanoic acid
CID 87933136
4-methyl-2-(3-methylpentan-3-yl)hexan-1-amine
CID 89076021
1-amino-2,3,4-trimethylhexan-3-ol
CID 79135211
2-methylpentane-3,3-diol
CID 87103548
ethanol;propane-1,2-diamine
CID 161334035

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol?
The IUPAC name of 4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol (CID 79134647) is 4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol.
What is the SMILES notation for 4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol?
The canonical SMILES for 4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol is CCC(CN)C(O)(CC)C(C)C.
What is the InChIKey of 4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol?
The InChIKey is ATDOXQSCFFNHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-9(7-11)10(12,6-2)8(3)4/h8-9,12H,5-7,11H2,1-4H3.
What are the key properties of 4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol?
4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol has a molecular weight of 173.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol is sourced from PubChem (CID 79134647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).