4-(aminomethyl)-2-methylhexanoic acid

C8H17NO2 — CID 177106642

IUPAC4-(aminomethyl)-2-methylhexanoic acid
SMILESCCC(CN)CC(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-3-7(5-9)4-6(2)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyVXHGKEGZQUOTFS-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.08
Rot. Bonds5

About 4-(aminomethyl)-2-methylhexanoic acid

4-(aminomethyl)-2-methylhexanoic acid (PubChem CID 177106642) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methylhexanoic acid.

Molecular Properties

Compound Name4-(aminomethyl)-2-methylhexanoic acid
PubChem CID177106642
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(aminomethyl)-2-methylhexanoic acid
SMILESCCC(CN)CC(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-3-7(5-9)4-6(2)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyVXHGKEGZQUOTFS-UHFFFAOYSA-N
XLogP1.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-2-methylhexanoyl iodide
CID 163999902
(2S)-2-[3-(aminomethyl)pentanoylamino]-4-methylpentanoic acid
CID 81087218
2,4-diethylpentane-1,5-diamine;ethanamine
CID 162225203
4-carbamoyl-2-methylhexanoic acid
CID 20783257
4-amino-2-methylpentanoic acid
CID 22105024
2,4,6,8-tetramethyldecanoic acid
CID 5312348
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxylic acid
CID 123247671
(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
CID 163059027
4,6-dicarbamoyl-2-methyloctanoic acid
CID 89382059
bis(2-methylbutanoic acid);nickel
CID 170549792
CID 88513173
CID 88513173
iron;2-methylbutanoic acid
CID 175205801

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methylhexanoic acid?
The IUPAC name of 4-(aminomethyl)-2-methylhexanoic acid (CID 177106642) is 4-(aminomethyl)-2-methylhexanoic acid.
What is the SMILES notation for 4-(aminomethyl)-2-methylhexanoic acid?
The canonical SMILES for 4-(aminomethyl)-2-methylhexanoic acid is CCC(CN)CC(C)C(=O)O.
What is the InChIKey of 4-(aminomethyl)-2-methylhexanoic acid?
The InChIKey is VXHGKEGZQUOTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-7(5-9)4-6(2)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11).
What are the key properties of 4-(aminomethyl)-2-methylhexanoic acid?
4-(aminomethyl)-2-methylhexanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methylhexanoic acid is sourced from PubChem (CID 177106642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).