3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine

C17H27N — CID 79837847

IUPAC3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine
SMILESCCCNC1CC(C)(C)c2ccc(CCC)cc21
InChIInChI=1S/C17H27N/c1-5-7-13-8-9-15-14(11-13)16(18-10-6-2)12-17(15,3)4/h8-9,11,16,18H,5-7,10,12H2,1-4H3
InChIKeyWHZWVLCKXITPQZ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.36
Rot. Bonds5

About 3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine

3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine (PubChem CID 79837847) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine
PubChem CID79837847
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine
SMILESCCCNC1CC(C)(C)c2ccc(CCC)cc21
InChIInChI=1S/C17H27N/c1-5-7-13-8-9-15-14(11-13)16(18-10-6-2)12-17(15,3)4/h8-9,11,16,18H,5-7,10,12H2,1-4H3
InChIKeyWHZWVLCKXITPQZ-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-ethoxy-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
CID 79837179
3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine
CID 115483170
3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483148
N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79838612
6-ethoxy-N-ethyl-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79837369
N,7-dipropyl-1,2,4,5-tetrahydro-3-benzoxepin-5-amine
CID 55109377
N,7-dipropyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 62549764
4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
CID 79837283
6-ethyl-3-methyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63823010
N-ethyl-7-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737677
7-ethyl-4-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305796
3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63512839

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine?
The IUPAC name of 3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine (CID 79837847) is 3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for 3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine?
The canonical SMILES for 3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine is CCCNC1CC(C)(C)c2ccc(CCC)cc21.
What is the InChIKey of 3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine?
The InChIKey is WHZWVLCKXITPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-7-13-8-9-15-14(11-13)16(18-10-6-2)12-17(15,3)4/h8-9,11,16,18H,5-7,10,12H2,1-4H3.
What are the key properties of 3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine?
3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N,6-dipropyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 79837847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).