N,N,3-trimethyl-2,3-dihydropentalen-1-amine

C11H15N — CID 90987640

IUPACN,N,3-trimethyl-2,3-dihydropentalen-1-amine
SMILESCC1CC(N(C)C)=C2C=CC=C21
InChIInChI=1S/C11H15N/c1-8-7-11(12(2)3)10-6-4-5-9(8)10/h4-6,8H,7H2,1-3H3
InChIKeyAUAUNQBYGZFTAF-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.34
Rot. Bonds1

About N,N,3-trimethyl-2,3-dihydropentalen-1-amine

N,N,3-trimethyl-2,3-dihydropentalen-1-amine (PubChem CID 90987640) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N,N,3-trimethyl-2,3-dihydropentalen-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-2,3-dihydropentalen-1-amine
PubChem CID90987640
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN,N,3-trimethyl-2,3-dihydropentalen-1-amine
SMILESCC1CC(N(C)C)=C2C=CC=C21
InChIInChI=1S/C11H15N/c1-8-7-11(12(2)3)10-6-4-5-9(8)10/h4-6,8H,7H2,1-3H3
InChIKeyAUAUNQBYGZFTAF-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N,3-trimethyl-2,3-dihydropentalen-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-(Dimethylamino)-5,6-dihydropentalene
CID 13280604
N,N,3,3-tetramethyl-2H-pentalen-1-amine
CID 49871612
(3S)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine;(3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine
CID 139162238
1,4-Dimethyl-2,3,4,5-tetrahydrocyclopenta[b]pyridine
CID 58449484
7-Methyl-7-azatetracyclo[8.3.0.02,12.04,8]trideca-2,4(8),10,12-tetraene
CID 126635979
N,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine
CID 134376301
(1Z,4E)-5-cyclopenta-1,3-dien-1-yl-N-(3-cyclopentylprop-1-en-2-yl)-N-methyl-3-methylidenepenta-1,4-dien-1-amine
CID 143924466
4-Methyl-6,7,8,8a-tetrahydrocyclopenta[b]indole
CID 149334435
2-[(E)-2,3-dimethylbut-1-enyl]-N,N-dimethylcyclopenten-1-amine
CID 153359513
3-Ethyl-1-methyl-3a,4-dihydroindole
CID 163891691
3-ethenyl-1-methyl-3,4,5,9-tetrahydro-2H-cycloocta[b]pyrrole
CID 166778589
1-Methyl-3-(2-methylpropyl)-2,3-dihydrocyclohepta[b]pyrrole
CID 167175556

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2,3-dihydropentalen-1-amine?
The IUPAC name of N,N,3-trimethyl-2,3-dihydropentalen-1-amine (CID 90987640) is N,N,3-trimethyl-2,3-dihydropentalen-1-amine.
What is the SMILES notation for N,N,3-trimethyl-2,3-dihydropentalen-1-amine?
The canonical SMILES for N,N,3-trimethyl-2,3-dihydropentalen-1-amine is CC1CC(N(C)C)=C2C=CC=C21.
What is the InChIKey of N,N,3-trimethyl-2,3-dihydropentalen-1-amine?
The InChIKey is AUAUNQBYGZFTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-7-11(12(2)3)10-6-4-5-9(8)10/h4-6,8H,7H2,1-3H3.
What are the key properties of N,N,3-trimethyl-2,3-dihydropentalen-1-amine?
N,N,3-trimethyl-2,3-dihydropentalen-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2,3-dihydropentalen-1-amine is sourced from PubChem (CID 90987640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).