N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine

C13H19N — CID 93092975

IUPACN-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine
SMILESCC[C@@H](C)NC1Cc2ccccc2C1
InChIInChI=1S/C13H19N/c1-3-10(2)14-13-8-11-6-4-5-7-12(11)9-13/h4-7,10,13-14H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyNLFGZYPMSNKVKI-SNVBAGLBSA-N
MW189.30 g/mol
LogP2.54
Rot. Bonds3

About N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine

N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 93092975) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine
PubChem CID93092975
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine
SMILESCC[C@@H](C)NC1Cc2ccccc2C1
InChIInChI=1S/C13H19N/c1-3-10(2)14-13-8-11-6-4-5-7-12(11)9-13/h4-7,10,13-14H,3,8-9H2,1-2H3/t10-/m1/s1
InChIKeyNLFGZYPMSNKVKI-SNVBAGLBSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-(2,3-dihydro-1H-inden-2-yl)propane-1,2-diamine
CID 107850036
3-(2,3-dihydro-1H-inden-2-ylamino)butanenitrile
CID 103830749
N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 64629774
N-(1-methylsulfinylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 104537653
ethyl 3-(2,3-dihydro-1H-inden-2-ylamino)butanoate
CID 114009131
N-heptan-4-yl-2,3-dihydro-1H-inden-2-amine
CID 104694875
4-[(2R)-2-(2,3-dihydro-1H-inden-2-ylamino)propyl]phenol
CID 71369040
N-[1-(2-methoxyphenyl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 60935059
2-(butan-2-ylamino)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 114007934
N-(1-cyclobutylethyl)-2,3-dihydro-1H-inden-2-amine
CID 115896468
N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide
CID 54901056
tert-butyl N-[2-(2,3-dihydro-1H-inden-2-ylamino)propyl]carbamate
CID 107248356

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine (CID 93092975) is N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine is CC[C@@H](C)NC1Cc2ccccc2C1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is NLFGZYPMSNKVKI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N/c1-3-10(2)14-13-8-11-6-4-5-7-12(11)9-13/h4-7,10,13-14H,3,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine?
N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 189.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 93092975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).