2-(aminomethyl)-2-propan-2-ylhexanoic acid

C10H21NO2 — CID 106488461

IUPAC2-(aminomethyl)-2-propan-2-ylhexanoic acid
SMILESCCCCC(CN)(C(=O)O)C(C)C
InChIInChI=1S/C10H21NO2/c1-4-5-6-10(7-11,8(2)3)9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyZKXGYPWRLCYTFB-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.86
Rot. Bonds6

About 2-(aminomethyl)-2-propan-2-ylhexanoic acid

2-(aminomethyl)-2-propan-2-ylhexanoic acid (PubChem CID 106488461) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-(aminomethyl)-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-propan-2-ylhexanoic acid
PubChem CID106488461
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-(aminomethyl)-2-propan-2-ylhexanoic acid
SMILESCCCCC(CN)(C(=O)O)C(C)C
InChIInChI=1S/C10H21NO2/c1-4-5-6-10(7-11,8(2)3)9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyZKXGYPWRLCYTFB-UHFFFAOYSA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)spiro[2.5]octane-1-carboxylic Acid
CID 10103844
1-Aminomethyl-2,2-dipropyl-cyclopropanecarboxylic acid
CID 10104216
1-Aminomethyl-2-(1-ethyl-propyl)-cyclopropanecarboxylic acid
CID 10375158
1-(Aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 10419427
1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic Acid
CID 10419611
1-(aminomethyl)spiro[2.3]hexane-1-carboxylic Acid
CID 10441912
3-(Aminomethyl)-3-ethyl-5-methylhexanoic acid
CID 11332915
3-(Aminomethyl)-3,5-dimethylhexanoic acid
CID 11469353
6-Amino-2-propylhexanoic acid
CID 2832747
1-(Aminomethyl)cyclohexane-1-carboxylic acid hydrochloride
CID 46784064
1-(Aminomethyl)cyclohexane-1-carboxylic acid
CID 13984308
2-(2-Aminoethyl)-5,5-dimethylhexanoic acid hydrochloride
CID 136575567

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-propan-2-ylhexanoic acid?
The IUPAC name of 2-(aminomethyl)-2-propan-2-ylhexanoic acid (CID 106488461) is 2-(aminomethyl)-2-propan-2-ylhexanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-propan-2-ylhexanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-propan-2-ylhexanoic acid is CCCCC(CN)(C(=O)O)C(C)C.
What is the InChIKey of 2-(aminomethyl)-2-propan-2-ylhexanoic acid?
The InChIKey is ZKXGYPWRLCYTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-6-10(7-11,8(2)3)9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-2-propan-2-ylhexanoic acid?
2-(aminomethyl)-2-propan-2-ylhexanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 106488461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).