2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol

C11H25NO — CID 106507831

IUPAC2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol
SMILESCCCCC(CN)(CO)CC(C)C
InChIInChI=1S/C11H25NO/c1-4-5-6-11(8-12,9-13)7-10(2)3/h10,13H,4-9,12H2,1-3H3
InChIKeyYHERWXKHJSRCSY-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.16
Rot. Bonds7

About 2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol

2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol (PubChem CID 106507831) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol
PubChem CID106507831
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol
SMILESCCCCC(CN)(CO)CC(C)C
InChIInChI=1S/C11H25NO/c1-4-5-6-11(8-12,9-13)7-10(2)3/h10,13H,4-9,12H2,1-3H3
InChIKeyYHERWXKHJSRCSY-UHFFFAOYSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-butylpropane-1,3-diol
CID 139977749
2-butyl-2-ethylpropane-1,3-diol;2-ethyl-2-(2-methylpropyl)propane-1,3-diol
CID 88623677
2-(aminomethyl)-2-(3-ethoxypropyl)-4-methylpentan-1-ol
CID 106507842
2-(aminomethyl)-4-methyl-2-(2-propoxyethyl)pentan-1-ol
CID 106507904
2-(aminomethyl)-4-ethyl-2-(2-methylpropyl)octan-1-ol
CID 106507791
2-(aminomethyl)-2-tetradecylpropane-1,3-diol
CID 139977748
2-(aminomethyl)-4-methyl-2-propylhexan-1-ol
CID 106506327
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295
6,6-dibutyl-2-methyldecane
CID 150480915
2-(methoxymethyl)-2-(2-methylpropyl)decan-1-amine
CID 139968873
4,4-bis(chloromethyl)-2-methyloctane
CID 79448135
2-(3-methylbutyl)-2-pentylpropane-1,3-diol
CID 165147923

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol (CID 106507831) is 2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol is CCCCC(CN)(CO)CC(C)C.
What is the InChIKey of 2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol?
The InChIKey is YHERWXKHJSRCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-5-6-11(8-12,9-13)7-10(2)3/h10,13H,4-9,12H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol?
2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol is sourced from PubChem (CID 106507831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).