2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine

C14H22N2O — CID 55174589

IUPAC2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine
SMILESCCCN(CC1CCCO1)c1ccccc1N
InChIInChI=1S/C14H22N2O/c1-2-9-16(11-12-6-5-10-17-12)14-8-4-3-7-13(14)15/h3-4,7-8,12H,2,5-6,9-11,15H2,1H3
InChIKeyXYKRPTSKFDCHHD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.66
Rot. Bonds5

About 2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine

2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine (PubChem CID 55174589) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine
PubChem CID55174589
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine
SMILESCCCN(CC1CCCO1)c1ccccc1N
InChIInChI=1S/C14H22N2O/c1-2-9-16(11-12-6-5-10-17-12)14-8-4-3-7-13(14)15/h3-4,7-8,12H,2,5-6,9-11,15H2,1H3
InChIKeyXYKRPTSKFDCHHD-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline
CID 43591944
2-(2-aminobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817012
2-(2-aminoethyl)-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 55234846
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 104540056
N-(2-aminophenyl)-N-propyloxolane-2-carboxamide
CID 63230184
N-(2-aminophenyl)-N-ethyl-2-(oxolan-2-yl)acetamide
CID 65157069
3-[2-methyl-N-(oxolan-2-ylmethyl)anilino]propanoic acid
CID 60840608
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 133273815
3-N-methyl-2-nitro-3-N-(oxolan-2-ylmethyl)benzene-1,3-diamine
CID 80796745
2-[3-[methyl(oxolan-2-ylmethyl)amino]propyl]aniline
CID 107274354
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine?
The IUPAC name of 2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine (CID 55174589) is 2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine is CCCN(CC1CCCO1)c1ccccc1N.
What is the InChIKey of 2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine?
The InChIKey is XYKRPTSKFDCHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-9-16(11-12-6-5-10-17-12)14-8-4-3-7-13(14)15/h3-4,7-8,12H,2,5-6,9-11,15H2,1H3.
What are the key properties of 2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine?
2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 55174589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).