3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine

C13H18N2O2 — CID 79462709

IUPAC3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C13H18N2O2/c14-9-1-2-10(7-9)15-11-3-4-12-13(8-11)17-6-5-16-12/h3-4,8-10,15H,1-2,5-7,14H2
InChIKeyCZEZHCIRYVICCN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.75
Rot. Bonds2

About 3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine

3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine (PubChem CID 79462709) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine
PubChem CID79462709
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C13H18N2O2/c14-9-1-2-10(7-9)15-11-3-4-12-13(8-11)17-6-5-16-12/h3-4,8-10,15H,1-2,5-7,14H2
InChIKeyCZEZHCIRYVICCN-UHFFFAOYSA-N
XLogP1.75
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193592
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131628
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 66031472
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)cyclobutane-1-carboxylic acid
CID 117027778
N-(4-propan-2-ylcycloheptyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 65087519
N-(oxan-4-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43608361
N-[(3R)-1,1-dioxothiolan-3-yl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 7116120
3-N-(4-methylphenyl)cyclopentane-1,3-diamine
CID 79461968
N-(oxolan-3-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 63332139
3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine
CID 81260171
N-(3,3,5-trimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43097568
N-[4-(cyclopropylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 112980041

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine (CID 79462709) is 3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine is NC1CCC(Nc2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine?
The InChIKey is CZEZHCIRYVICCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-9-1-2-10(7-9)15-11-3-4-12-13(8-11)17-6-5-16-12/h3-4,8-10,15H,1-2,5-7,14H2.
What are the key properties of 3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine?
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine has a molecular weight of 234.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79462709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).