2-(propylaminomethyl)hexanoic acid;dihydrochloride

C10H23Cl2NO2 — CID 142749196

IUPAC2-(propylaminomethyl)hexanoic acid;dihydrochloride
SMILESCCCCC(CNCCC)C(=O)O.Cl.Cl
InChIInChI=1S/C10H21NO2.2ClH/c1-3-5-6-9(10(12)13)8-11-7-4-2;;/h9,11H,3-8H2,1-2H3,(H,12,13);2*1H
InChIKeyANCPIBLPTJNKJP-UHFFFAOYSA-N
MW260.20 g/mol
LogP2.72
Rot. Bonds8

About 2-(propylaminomethyl)hexanoic acid;dihydrochloride

2-(propylaminomethyl)hexanoic acid;dihydrochloride (PubChem CID 142749196) has the molecular formula C10H23Cl2NO2 and a molecular weight of 260.20 g/mol. Its IUPAC name is 2-(propylaminomethyl)hexanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-(propylaminomethyl)hexanoic acid;dihydrochloride
PubChem CID142749196
Molecular FormulaC10H23Cl2NO2
Molecular Weight260.20 g/mol
Exact Mass259.11
IUPAC Name2-(propylaminomethyl)hexanoic acid;dihydrochloride
SMILESCCCCC(CNCCC)C(=O)O.Cl.Cl
InChIInChI=1S/C10H21NO2.2ClH/c1-3-5-6-9(10(12)13)8-11-7-4-2;;/h9,11H,3-8H2,1-2H3,(H,12,13);2*1H
InChIKeyANCPIBLPTJNKJP-UHFFFAOYSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-pentoxy-2-(propylaminomethyl)pentanoic acid
CID 155752215
2-[(tetradecylamino)methyl]tetradecanoic acid
CID 57192741
N-butylbutan-1-amine;2-ethylhexanoic acid
CID 22182206
2-butyl-6-(pentylamino)hexanoic acid
CID 91087810
CID 87702087
CID 87702087
azane;2,7-dibutyloctanedioic acid
CID 174821009
2-[[(2,2,2-trifluoroacetyl)amino]methyl]hexanoic acid;hydrochloride
CID 174636896
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
λ2-stannane;2-propylhexanoic acid
CID 174232814
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
copper 2-ethylhexanoic acid
CID 54604905

Frequently Asked Questions

What is the IUPAC name of 2-(propylaminomethyl)hexanoic acid;dihydrochloride?
The IUPAC name of 2-(propylaminomethyl)hexanoic acid;dihydrochloride (CID 142749196) is 2-(propylaminomethyl)hexanoic acid;dihydrochloride.
What is the SMILES notation for 2-(propylaminomethyl)hexanoic acid;dihydrochloride?
The canonical SMILES for 2-(propylaminomethyl)hexanoic acid;dihydrochloride is CCCCC(CNCCC)C(=O)O.Cl.Cl.
What is the InChIKey of 2-(propylaminomethyl)hexanoic acid;dihydrochloride?
The InChIKey is ANCPIBLPTJNKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.2ClH/c1-3-5-6-9(10(12)13)8-11-7-4-2;;/h9,11H,3-8H2,1-2H3,(H,12,13);2*1H.
What are the key properties of 2-(propylaminomethyl)hexanoic acid;dihydrochloride?
2-(propylaminomethyl)hexanoic acid;dihydrochloride has a molecular weight of 260.20 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylaminomethyl)hexanoic acid;dihydrochloride is sourced from PubChem (CID 142749196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).