N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane

C19H33NO2 — CID 142837750

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
SMILESCC.CC.c1cc2c(cc1CNC1CCCCC1)OCCO2
InChIInChI=1S/C15H21NO2.2C2H6/c1-2-4-13(5-3-1)16-11-12-6-7-14-15(10-12)18-9-8-17-14;2*1-2/h6-7,10,13,16H,1-5,8-9,11H2;2*1-2H3
InChIKeyVLYXCNKJOIOJTH-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.93
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane (PubChem CID 142837750) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
PubChem CID142837750
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
SMILESCC.CC.c1cc2c(cc1CNC1CCCCC1)OCCO2
InChIInChI=1S/C15H21NO2.2C2H6/c1-2-4-13(5-3-1)16-11-12-6-7-14-15(10-12)18-9-8-17-14;2*1-2/h6-7,10,13,16H,1-5,8-9,11H2;2*1-2H3
InChIKeyVLYXCNKJOIOJTH-UHFFFAOYSA-N
XLogP4.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501654
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)cyclohexan-1-ol
CID 60870118
tert-butyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)azepane-1-carboxylate
CID 58603126
7-[(cyclopentylamino)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 68934753
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine
CID 61171948
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclohexanamine
CID 43216998
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclooctanamine
CID 43217019
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidine-1-carboxamide
CID 43766812
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)cyclohexan-1-ol
CID 62358859
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclooctanamine
CID 60590073
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclopentanamine
CID 43087524

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane (CID 142837750) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane is CC.CC.c1cc2c(cc1CNC1CCCCC1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane?
The InChIKey is VLYXCNKJOIOJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.2C2H6/c1-2-4-13(5-3-1)16-11-12-6-7-14-15(10-12)18-9-8-17-14;2*1-2/h6-7,10,13,16H,1-5,8-9,11H2;2*1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane has a molecular weight of 307.48 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane is sourced from PubChem (CID 142837750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).