N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine

C16H23NO2 — CID 139712498

IUPACN,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine
SMILESCCCN(CCC)C1Cc2ccc3c(c2C1)OCO3
InChIInChI=1S/C16H23NO2/c1-3-7-17(8-4-2)13-9-12-5-6-15-16(14(12)10-13)19-11-18-15/h5-6,13H,3-4,7-11H2,1-2H3
InChIKeyUSWLVGLWVNIZLC-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.00
Rot. Bonds5

About N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine

N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine (PubChem CID 139712498) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine.

Molecular Properties

Compound NameN,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine
PubChem CID139712498
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine
SMILESCCCN(CCC)C1Cc2ccc3c(c2C1)OCO3
InChIInChI=1S/C16H23NO2/c1-3-7-17(8-4-2)13-9-12-5-6-15-16(14(12)10-13)19-11-18-15/h5-6,13H,3-4,7-11H2,1-2H3
InChIKeyUSWLVGLWVNIZLC-UHFFFAOYSA-N
XLogP3.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(10R)-6-ethyl-14,16-dioxatetracyclo[10.7.0.03,10.013,17]nonadeca-1(12),13(17),18-triene
CID 143769002
(7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
CID 143917287
5-methylsulfanyl-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
CID 19710198
(7R,8R)-8-(3-chloropropyl)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole;propane
CID 143768979
2-N,2-N-dipropyl-2,3-dihydro-1H-indene-2,5-diamine
CID 10537561
N-[4-(4H-1,3-benzodioxin-8-yloxy)butyl]-N-propyl-2,3-dihydro-1H-inden-2-amine
CID 23373775
N,N-dipropyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-7-amine
CID 13342884
(6aR,10aR)-7-methyl-6,6a,8,9,10a,11-hexahydro-[1,3]benzodioxolo[6,7-g][1,4]benzoxazine
CID 44555139
(3S)-3-N,3-N-dipropyl-3,4-dihydro-2H-chromene-3,8-diamine
CID 129384642
5,6-bis(methoxymethyl)-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
CID 23209354
N,N-dipropyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-6-amine
CID 19041541
7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole
CID 86150963

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine?
The IUPAC name of N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine (CID 139712498) is N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine.
What is the SMILES notation for N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine?
The canonical SMILES for N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine is CCCN(CCC)C1Cc2ccc3c(c2C1)OCO3.
What is the InChIKey of N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine?
The InChIKey is USWLVGLWVNIZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-7-17(8-4-2)13-9-12-5-6-15-16(14(12)10-13)19-11-18-15/h5-6,13H,3-4,7-11H2,1-2H3.
What are the key properties of N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine?
N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine has a molecular weight of 261.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine is sourced from PubChem (CID 139712498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).