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

C10H13N — CID 13280604

IUPACN,N-dimethyl-2,3-dihydropentalen-1-amine
SMILESCN(C)C1=C2C=CC=C2CC1
InChIInChI=1S/C10H13N/c1-11(2)10-7-6-8-4-3-5-9(8)10/h3-5H,6-7H2,1-2H3
InChIKeyAPKCDZPFCPMKAE-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.09
Rot. Bonds1

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

N,N-dimethyl-2,3-dihydropentalen-1-amine (PubChem CID 13280604) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N,N-dimethyl-2,3-dihydropentalen-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,3-dihydropentalen-1-amine
PubChem CID13280604
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN,N-dimethyl-2,3-dihydropentalen-1-amine
SMILESCN(C)C1=C2C=CC=C2CC1
InChIInChI=1S/C10H13N/c1-11(2)10-7-6-8-4-3-5-9(8)10/h3-5H,6-7H2,1-2H3
InChIKeyAPKCDZPFCPMKAE-UHFFFAOYSA-N
XLogP2.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3-dihydropentalen-1-amine?
The IUPAC name of N,N-dimethyl-2,3-dihydropentalen-1-amine (CID 13280604) is N,N-dimethyl-2,3-dihydropentalen-1-amine.
What is the SMILES notation for N,N-dimethyl-2,3-dihydropentalen-1-amine?
The canonical SMILES for N,N-dimethyl-2,3-dihydropentalen-1-amine is CN(C)C1=C2C=CC=C2CC1.
What is the InChIKey of N,N-dimethyl-2,3-dihydropentalen-1-amine?
The InChIKey is APKCDZPFCPMKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-11(2)10-7-6-8-4-3-5-9(8)10/h3-5H,6-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2,3-dihydropentalen-1-amine?
N,N-dimethyl-2,3-dihydropentalen-1-amine has a molecular weight of 147.22 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3-dihydropentalen-1-amine is sourced from PubChem (CID 13280604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).