N,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane

C17H30N2 — CID 144657275

IUPACN,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane
SMILESCC.CC1=CC=C(CN2CCC(N(C)C)C2)CC=C1
InChIInChI=1S/C15H24N2.C2H6/c1-13-5-4-6-14(8-7-13)11-17-10-9-15(12-17)16(2)3;1-2/h4-5,7-8,15H,6,9-12H2,1-3H3;1-2H3
InChIKeyRJTZBWQGKHQXRH-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.48
Rot. Bonds3

About N,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane

N,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane (PubChem CID 144657275) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane
PubChem CID144657275
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane
SMILESCC.CC1=CC=C(CN2CCC(N(C)C)C2)CC=C1
InChIInChI=1S/C15H24N2.C2H6/c1-13-5-4-6-14(8-7-13)11-17-10-9-15(12-17)16(2)3;1-2/h4-5,7-8,15H,6,9-12H2,1-3H3;1-2H3
InChIKeyRJTZBWQGKHQXRH-UHFFFAOYSA-N
XLogP3.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane 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,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane?
The IUPAC name of N,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane (CID 144657275) is N,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane.
What is the SMILES notation for N,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane?
The canonical SMILES for N,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane is CC.CC1=CC=C(CN2CCC(N(C)C)C2)CC=C1.
What is the InChIKey of N,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane?
The InChIKey is RJTZBWQGKHQXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.C2H6/c1-13-5-4-6-14(8-7-13)11-17-10-9-15(12-17)16(2)3;1-2/h4-5,7-8,15H,6,9-12H2,1-3H3;1-2H3.
What are the key properties of N,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane?
N,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane has a molecular weight of 262.44 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(4-methylcyclohepta-1,3,5-trien-1-yl)methyl]pyrrolidin-3-amine;ethane is sourced from PubChem (CID 144657275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).