2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid

C17H30N2O2 — CID 64521035

IUPAC2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid
SMILESCC(CCCCN(CC1CC1)C1CC1)(NC1CC1)C(=O)O
InChIInChI=1S/C17H30N2O2/c1-17(16(20)21,18-14-6-7-14)10-2-3-11-19(15-8-9-15)12-13-4-5-13/h13-15,18H,2-12H2,1H3,(H,20,21)
InChIKeyVJRWIYNPVMANSH-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.63
Rot. Bonds11

About 2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid

2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid (PubChem CID 64521035) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid
PubChem CID64521035
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid
SMILESCC(CCCCN(CC1CC1)C1CC1)(NC1CC1)C(=O)O
InChIInChI=1S/C17H30N2O2/c1-17(16(20)21,18-14-6-7-14)10-2-3-11-19(15-8-9-15)12-13-4-5-13/h13-15,18H,2-12H2,1H3,(H,20,21)
InChIKeyVJRWIYNPVMANSH-UHFFFAOYSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.63
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-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid
CID 106806318
2-(cyclopropylamino)-4-[cyclopropyl(cyclopropylmethyl)amino]-2-methylbutanamide
CID 64520054
6-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-2-(methylamino)hexanamide
CID 64522437
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanoic acid
CID 63954259
6-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylhexanoic acid
CID 107401160
5-[cyclopropyl(cyclopropylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65254953
4-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylbutanoic acid
CID 55249059
2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-methylpentanenitrile
CID 64520439
2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid
CID 63691583
5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806317
methyl 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanoate
CID 62861406
6-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylhexanoic acid
CID 63115953

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid?
The IUPAC name of 2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid (CID 64521035) is 2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid is CC(CCCCN(CC1CC1)C1CC1)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid?
The InChIKey is VJRWIYNPVMANSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-17(16(20)21,18-14-6-7-14)10-2-3-11-19(15-8-9-15)12-13-4-5-13/h13-15,18H,2-12H2,1H3,(H,20,21).
What are the key properties of 2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid?
2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid has a molecular weight of 294.44 g/mol, XLogP of 2.63, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-[cyclopropyl(cyclopropylmethyl)amino]-2-methylhexanoic acid is sourced from PubChem (CID 64521035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).