(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine

C14H21NO2 — CID 28979698

IUPAC(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
SMILESCCCCC[C@H](N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H21NO2/c1-2-3-4-5-12(15)11-6-7-13-14(10-11)17-9-8-16-13/h6-7,10,12H,2-5,8-9,15H2,1H3/t12-/m0/s1
InChIKeySYXSFOBFIWXKTE-LBPRGKRZSA-N
MW235.33 g/mol
LogP3.04
Rot. Bonds5

About (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine

(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine (PubChem CID 28979698) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
PubChem CID28979698
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine
SMILESCCCCC[C@H](N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H21NO2/c1-2-3-4-5-12(15)11-6-7-13-14(10-11)17-9-8-16-13/h6-7,10,12H,2-5,8-9,15H2,1H3/t12-/m0/s1
InChIKeySYXSFOBFIWXKTE-LBPRGKRZSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)nonan-1-amine
CID 65447814
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pentane-1,5-diamine
CID 171226610
(1S)-1-(1,3-benzodioxol-5-yl)pentan-1-amine;hydrochloride
CID 171236418
6-(1-bromohexyl)-2,3-dihydro-1,4-benzodioxine
CID 55199144
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-amine
CID 62790727
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine;hydrochloride
CID 171207035
6-(1-bromodecyl)-2,3-dihydro-1,4-benzodioxine
CID 22079611
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylnonan-1-amine
CID 65447633
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
CID 43483285
ethyl 6-amino-6-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanoate
CID 60861991
(1S)-1-[24-[(1S)-1-hydroxynonyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]nonan-1-ol
CID 98159723
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pentoxyethanamine
CID 43275048

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine?
The IUPAC name of (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine (CID 28979698) is (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine.
What is the SMILES notation for (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine?
The canonical SMILES for (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine is CCCCC[C@H](N)c1ccc2c(c1)OCCO2.
What is the InChIKey of (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine?
The InChIKey is SYXSFOBFIWXKTE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-3-4-5-12(15)11-6-7-13-14(10-11)17-9-8-16-13/h6-7,10,12H,2-5,8-9,15H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine?
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-amine is sourced from PubChem (CID 28979698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).