2-[methyl(propyl)amino]acetic acid;pentan-1-amine

C11H26N2O2 — CID 175371891

IUPAC2-[methyl(propyl)amino]acetic acid;pentan-1-amine
SMILESCCCCCN.CCCN(C)CC(=O)O
InChIInChI=1S/C6H13NO2.C5H13N/c1-3-4-7(2)5-6(8)9;1-2-3-4-5-6/h3-5H2,1-2H3,(H,8,9);2-6H2,1H3
InChIKeyVXAVTFAIWJHJCS-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.55
Rot. Bonds7

About 2-[methyl(propyl)amino]acetic acid;pentan-1-amine

2-[methyl(propyl)amino]acetic acid;pentan-1-amine (PubChem CID 175371891) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[methyl(propyl)amino]acetic acid;pentan-1-amine.

Molecular Properties

Compound Name2-[methyl(propyl)amino]acetic acid;pentan-1-amine
PubChem CID175371891
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name2-[methyl(propyl)amino]acetic acid;pentan-1-amine
SMILESCCCCCN.CCCN(C)CC(=O)O
InChIInChI=1S/C6H13NO2.C5H13N/c1-3-4-7(2)5-6(8)9;1-2-3-4-5-6/h3-5H2,1-2H3,(H,8,9);2-6H2,1H3
InChIKeyVXAVTFAIWJHJCS-UHFFFAOYSA-N
XLogP1.55
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-aminobutyl(methyl)amino]acetic acid
CID 144844838
2-[4-aminobutyl(methyl)amino]acetic acid;azane
CID 172717710
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
2-[hexyl(methyl)amino]acetic acid
CID 10197909
calcium;2-[dodecyl(methyl)amino]acetic acid;hydride
CID 173195427
octan-1-amine;propanoic acid
CID 87949597
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
hexanoic acid;N-methyl-N-propylpropan-1-amine
CID 173099175
acetic acid;hexacosan-1-amine
CID 172814522
acetic acid;hexan-1-amine
CID 174564294
carbamic acid;hexan-1-amine
CID 158177123

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propyl)amino]acetic acid;pentan-1-amine?
The IUPAC name of 2-[methyl(propyl)amino]acetic acid;pentan-1-amine (CID 175371891) is 2-[methyl(propyl)amino]acetic acid;pentan-1-amine.
What is the SMILES notation for 2-[methyl(propyl)amino]acetic acid;pentan-1-amine?
The canonical SMILES for 2-[methyl(propyl)amino]acetic acid;pentan-1-amine is CCCCCN.CCCN(C)CC(=O)O.
What is the InChIKey of 2-[methyl(propyl)amino]acetic acid;pentan-1-amine?
The InChIKey is VXAVTFAIWJHJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C5H13N/c1-3-4-7(2)5-6(8)9;1-2-3-4-5-6/h3-5H2,1-2H3,(H,8,9);2-6H2,1H3.
What are the key properties of 2-[methyl(propyl)amino]acetic acid;pentan-1-amine?
2-[methyl(propyl)amino]acetic acid;pentan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propyl)amino]acetic acid;pentan-1-amine is sourced from PubChem (CID 175371891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).