N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine

C17H29N — CID 58418804

IUPACN,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine
SMILESCC1CC2C=CC=C(CCN(C)C(C)(C)C)C2C1
InChIInChI=1S/C17H29N/c1-13-11-15-8-6-7-14(16(15)12-13)9-10-18(5)17(2,3)4/h6-8,13,15-16H,9-12H2,1-5H3
InChIKeyKXQGSCVAODBMIJ-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.27
Rot. Bonds3

About N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine

N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine (PubChem CID 58418804) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine
PubChem CID58418804
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine
SMILESCC1CC2C=CC=C(CCN(C)C(C)(C)C)C2C1
InChIInChI=1S/C17H29N/c1-13-11-15-8-6-7-14(16(15)12-13)9-10-18(5)17(2,3)4/h6-8,13,15-16H,9-12H2,1-5H3
InChIKeyKXQGSCVAODBMIJ-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine?
The IUPAC name of N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine (CID 58418804) is N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine?
The canonical SMILES for N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine is CC1CC2C=CC=C(CCN(C)C(C)(C)C)C2C1.
What is the InChIKey of N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine?
The InChIKey is KXQGSCVAODBMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-13-11-15-8-6-7-14(16(15)12-13)9-10-18(5)17(2,3)4/h6-8,13,15-16H,9-12H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine?
N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 58418804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).