(3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine

C11H15N — CID 139162240

IUPAC(3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine
SMILESC[C@@H]1CC(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/t8-/m1/s1
InChIKeyAUAUNQBYGZFTAF-MRVPVSSYSA-N
MW161.25 g/mol
LogP2.34
Rot. Bonds1

About (3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine

(3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine (PubChem CID 139162240) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine.

Molecular Properties

Compound Name(3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine
PubChem CID139162240
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine
SMILESC[C@@H]1CC(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/t8-/m1/s1
InChIKeyAUAUNQBYGZFTAF-MRVPVSSYSA-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

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine?
The IUPAC name of (3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine (CID 139162240) is (3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine.
What is the SMILES notation for (3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine?
The canonical SMILES for (3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine is C[C@@H]1CC(N(C)C)=C2C=CC=C21.
What is the InChIKey of (3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine?
The InChIKey is AUAUNQBYGZFTAF-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of (3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine?
(3R)-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 (3R)-N,N,3-trimethyl-2,3-dihydropentalen-1-amine is sourced from PubChem (CID 139162240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).