6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine

C16H25N — CID 61383373

IUPAC6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C16H25N/c1-5-10-17-15-9-7-12-6-8-13(11-14(12)15)16(2,3)4/h6,8,11,15,17H,5,7,9-10H2,1-4H3
InChIKeyKOCWUVFEBFAATB-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.97
Rot. Bonds3

About 6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine

6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 61383373) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID61383373
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C16H25N/c1-5-10-17-15-9-7-12-6-8-13(11-14(12)15)16(2,3)4/h6,8,11,15,17H,5,7,9-10H2,1-4H3
InChIKeyKOCWUVFEBFAATB-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383375
3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63512839
7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63512491
N'-ethyl-N-(6-methyl-2,3-dihydro-1H-inden-1-yl)-N'-propylethane-1,2-diamine
CID 103787790
[3-(propylamino)-2,3-dihydro-1H-inden-5-yl] N-ethyl-N-(hydroxymethyl)carbamate
CID 143532702
6-methoxy-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 82942309
(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 97357930
N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 55109377
5-pentan-3-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107683877
6-tert-butyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 55264301
2,2-dimethyl-3-[[1-(propylamino)-2,3-dihydro-1H-inden-5-yl]oxy]propanoic acid
CID 107683929
4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840528

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 61383373) is 6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1CCc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KOCWUVFEBFAATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-10-17-15-9-7-12-6-8-13(11-14(12)15)16(2,3)4/h6,8,11,15,17H,5,7,9-10H2,1-4H3.
What are the key properties of 6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 61383373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).