3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine

C17H25N — CID 115483148

IUPAC3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
SMILESCCCNC1CC(C)(C)c2cc3c(cc21)CCC3
InChIInChI=1S/C17H25N/c1-4-8-18-16-11-17(2,3)15-10-13-7-5-6-12(13)9-14(15)16/h9-10,16,18H,4-8,11H2,1-3H3
InChIKeySEALEDBWGHSYOW-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.90
Rot. Bonds3

About 3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine

3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine (PubChem CID 115483148) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
PubChem CID115483148
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
SMILESCCCNC1CC(C)(C)c2cc3c(cc21)CCC3
InChIInChI=1S/C17H25N/c1-4-8-18-16-11-17(2,3)15-10-13-7-5-6-12(13)9-14(15)16/h9-10,16,18H,4-8,11H2,1-3H3
InChIKeySEALEDBWGHSYOW-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine
CID 115483170
N,3,3-trimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483154
2,2-dimethyl-N-propyl-4,6,7,8-tetrahydro-3H-cyclopenta[g]chromen-4-amine
CID 64697481
3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine
CID 79837847
6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
CID 79837179
2-methyl-N-propyl-2,3,4,6,7,8-hexahydrocyclopenta[g]thiochromen-4-amine
CID 43538985
(1R)-3,3-dimethyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483155
1-oxo-N-propyl-3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzothiol-3-amine
CID 114992840
(1S)-3,3-dimethyl-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalen-1-ol
CID 115483220
4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
CID 79837283
3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63512839
7,7-dimethyl-3-propan-2-yloxy-N-propyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 63513012

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine?
The IUPAC name of 3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine (CID 115483148) is 3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine?
The canonical SMILES for 3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine is CCCNC1CC(C)(C)c2cc3c(cc21)CCC3.
What is the InChIKey of 3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine?
The InChIKey is SEALEDBWGHSYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-4-8-18-16-11-17(2,3)15-10-13-7-5-6-12(13)9-14(15)16/h9-10,16,18H,4-8,11H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine?
3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine is sourced from PubChem (CID 115483148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).