2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid

C20H32N2O2 — CID 134513480

IUPAC2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid
SMILESCCCCCC(CCCNC1Cc2ccccc2C1)(NC)C(=O)O
InChIInChI=1S/C20H32N2O2/c1-3-4-7-11-20(21-2,19(23)24)12-8-13-22-18-14-16-9-5-6-10-17(16)15-18/h5-6,9-10,18,21-22H,3-4,7-8,11-15H2,1-2H3,(H,23,24)
InChIKeyCDGPYPHWZQNZKN-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.15
Rot. Bonds11

About 2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid

2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid (PubChem CID 134513480) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid
PubChem CID134513480
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid
SMILESCCCCCC(CCCNC1Cc2ccccc2C1)(NC)C(=O)O
InChIInChI=1S/C20H32N2O2/c1-3-4-7-11-20(21-2,19(23)24)12-8-13-22-18-14-16-9-5-6-10-17(16)15-18/h5-6,9-10,18,21-22H,3-4,7-8,11-15H2,1-2H3,(H,23,24)
InChIKeyCDGPYPHWZQNZKN-UHFFFAOYSA-N
XLogP3.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-nonyl-2,3-dihydro-1H-inden-2-amine
CID 107851988
N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60669476
3-(2,3-dihydro-1H-inden-2-ylamino)propan-1-ol
CID 3030975
2-anilino-2-decyltridecanoic acid
CID 139977207
methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate
CID 24832867
methyl 5-(2,3-dihydro-1H-inden-2-ylamino)pentanoate
CID 171725916
N-(3-ethoxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 43512854
N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide
CID 54901056
N-(3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 63981661
2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide
CID 103901891
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 43512948
4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2,2-dimethylbutanoic acid
CID 122127276

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid?
The IUPAC name of 2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid (CID 134513480) is 2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid.
What is the SMILES notation for 2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid?
The canonical SMILES for 2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid is CCCCCC(CCCNC1Cc2ccccc2C1)(NC)C(=O)O.
What is the InChIKey of 2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid?
The InChIKey is CDGPYPHWZQNZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-3-4-7-11-20(21-2,19(23)24)12-8-13-22-18-14-16-9-5-6-10-17(16)15-18/h5-6,9-10,18,21-22H,3-4,7-8,11-15H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid?
2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid has a molecular weight of 332.49 g/mol, XLogP of 3.15, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-2-(methylamino)heptanoic acid is sourced from PubChem (CID 134513480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).