N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine

C18H29NO2 — CID 43130020

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine
SMILESCCCCCCCC(C)NCC1COc2ccccc2O1
InChIInChI=1S/C18H29NO2/c1-3-4-5-6-7-10-15(2)19-13-16-14-20-17-11-8-9-12-18(17)21-16/h8-9,11-12,15-16,19H,3-7,10,13-14H2,1-2H3
InChIKeyGCKTXVHKCBFCSM-UHFFFAOYSA-N
MW291.43 g/mol
LogP4.16
Rot. Bonds9

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine (PubChem CID 43130020) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine
PubChem CID43130020
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine
SMILESCCCCCCCC(C)NCC1COc2ccccc2O1
InChIInChI=1S/C18H29NO2/c1-3-4-5-6-7-10-15(2)19-13-16-14-20-17-11-8-9-12-18(17)21-16/h8-9,11-12,15-16,19H,3-7,10,13-14H2,1-2H3
InChIKeyGCKTXVHKCBFCSM-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 54.16
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

(2R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-methylheptan-2-amine
CID 125480047
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)hexan-2-amine
CID 54895979
(1R)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-phenylethanamine
CID 155091223
1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamine
CID 43769170
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 113405291
4-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]phenol
CID 43204652
ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
CID 91396275
1-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)propane-1,2-diamine
CID 83960709
(2R)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-N-(ethylcarbamoyl)propanamide
CID 2397451
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 64988585
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 43204657
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine (CID 43130020) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine is CCCCCCCC(C)NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine?
The InChIKey is GCKTXVHKCBFCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-4-5-6-7-10-15(2)19-13-16-14-20-17-11-8-9-12-18(17)21-16/h8-9,11-12,15-16,19H,3-7,10,13-14H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)nonan-2-amine has a molecular weight of 291.43 g/mol, XLogP of 4.16, 9 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-3-ylmethyl)nonan-2-amine is sourced from PubChem (CID 43130020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).