(2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine

C18H29N — CID 90210492

IUPAC(2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine
SMILESC[C@H](N)CCCc1cc2c(c(C(C)(C)C)c1)CCC2
InChIInChI=1S/C18H29N/c1-13(19)7-5-8-14-11-15-9-6-10-16(15)17(12-14)18(2,3)4/h11-13H,5-10,19H2,1-4H3/t13-/m0/s1
InChIKeyFNUSLWHUHBABEC-ZDUSSCGKSA-N
MW259.44 g/mol
LogP4.14
Rot. Bonds4

About (2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine

(2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine (PubChem CID 90210492) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine.

Molecular Properties

Compound Name(2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine
PubChem CID90210492
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine
SMILESC[C@H](N)CCCc1cc2c(c(C(C)(C)C)c1)CCC2
InChIInChI=1S/C18H29N/c1-13(19)7-5-8-14-11-15-9-6-10-16(15)17(12-14)18(2,3)4/h11-13H,5-10,19H2,1-4H3/t13-/m0/s1
InChIKeyFNUSLWHUHBABEC-ZDUSSCGKSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-5-[3-tert-butyl-5-(chloromethyl)phenyl]pentan-2-amine
CID 90210403
(2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine
CID 90210507
4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine
CID 167114083
4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 155459340
5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine
CID 123889780
1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 117388146
6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol
CID 64515618
5-(4-chloro-3-methylphenyl)pentan-2-amine
CID 83937390
5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine
CID 123273129
1-(6-bromo-2,3-dihydro-1H-inden-4-yl)propan-2-amine
CID 117388145
5-tert-butyl-6-methyl-2,3-dihydro-1H-indene
CID 140602507
5-(3-methylphenyl)pentan-2-amine
CID 64502928

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine?
The IUPAC name of (2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine (CID 90210492) is (2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine.
What is the SMILES notation for (2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine?
The canonical SMILES for (2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine is C[C@H](N)CCCc1cc2c(c(C(C)(C)C)c1)CCC2.
What is the InChIKey of (2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine?
The InChIKey is FNUSLWHUHBABEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H29N/c1-13(19)7-5-8-14-11-15-9-6-10-16(15)17(12-14)18(2,3)4/h11-13H,5-10,19H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine?
(2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(7-tert-butyl-2,3-dihydro-1H-inden-5-yl)pentan-2-amine is sourced from PubChem (CID 90210492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).