4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine

C17H26N2O2 — CID 65383734

IUPAC4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine
SMILESCC(CN)(CCc1ccc2c(c1)OCO2)NC1CCCC1
InChIInChI=1S/C17H26N2O2/c1-17(11-18,19-14-4-2-3-5-14)9-8-13-6-7-15-16(10-13)21-12-20-15/h6-7,10,14,19H,2-5,8-9,11-12,18H2,1H3
InChIKeyJMUBDKCVXRQDDZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.60
Rot. Bonds6

About 4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine

4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine (PubChem CID 65383734) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine
PubChem CID65383734
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine
SMILESCC(CN)(CCc1ccc2c(c1)OCO2)NC1CCCC1
InChIInChI=1S/C17H26N2O2/c1-17(11-18,19-14-4-2-3-5-14)9-8-13-6-7-15-16(10-13)21-12-20-15/h6-7,10,14,19H,2-5,8-9,11-12,18H2,1H3
InChIKeyJMUBDKCVXRQDDZ-UHFFFAOYSA-N
XLogP2.60
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-benzodioxol-5-yl)-2-methyl-2-N-propylbutane-1,2-diamine
CID 62066747
4-(1,3-benzodioxol-5-yl)-2-N-butan-2-yl-2-methylbutane-1,2-diamine
CID 65386040
4-(1,3-benzodioxol-5-yl)-2-N-but-3-ynyl-2-methylbutane-1,2-diamine
CID 116641320
4-(1,3-benzodioxol-5-yl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 24696093
4-(1,3-benzodioxol-5-yl)-2-(butan-2-ylamino)-2-methylbutan-1-ol
CID 61050198
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine
CID 43767433
3-(aminomethyl)-5-(1,3-benzodioxol-5-yl)-3-methylpentanoic acid
CID 66096422
4-(1,3-benzodioxol-5-yl)-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 43329607
(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide
CID 166443374
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine
CID 170759950
4-(1,3-benzodioxol-5-yl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)butane-1,2-diamine
CID 115985607
(3R)-5-(1,3-benzodioxol-5-yl)-3-methylpent-1-yn-3-ol
CID 672503

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine (CID 65383734) is 4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine is CC(CN)(CCc1ccc2c(c1)OCO2)NC1CCCC1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine?
The InChIKey is JMUBDKCVXRQDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(11-18,19-14-4-2-3-5-14)9-8-13-6-7-15-16(10-13)21-12-20-15/h6-7,10,14,19H,2-5,8-9,11-12,18H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine?
4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine has a molecular weight of 290.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-N-cyclopentyl-2-methylbutane-1,2-diamine is sourced from PubChem (CID 65383734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).