N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine

C17H28N2O — CID 65163921

IUPACN'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine
SMILESCN(CCCNCCCC1CCCO1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-19(16-8-3-2-4-9-16)14-7-13-18-12-5-10-17-11-6-15-20-17/h2-4,8-9,17-18H,5-7,10-15H2,1H3
InChIKeyCMBVIOHYBGNNJZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.06
Rot. Bonds9

About N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine

N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine (PubChem CID 65163921) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine
PubChem CID65163921
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine
SMILESCN(CCCNCCCC1CCCO1)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-19(16-8-3-2-4-9-16)14-7-13-18-12-5-10-17-11-6-15-20-17/h2-4,8-9,17-18H,5-7,10-15H2,1H3
InChIKeyCMBVIOHYBGNNJZ-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.06
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

4-N-methyl-4-N-[3-(oxolan-2-yl)propyl]benzene-1,4-diamine
CID 65162618
2-methyl-1-[3-(N-methylanilino)propyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111137911
N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65164090
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
3-[methyl-[3-(oxolan-2-yl)propyl]amino]benzonitrile
CID 65161053
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 65163903
2-[3-(oxolan-2-yl)propylamino]-1-phenylethanol
CID 65164044
2-[2-[3-(oxolan-2-yl)propylamino]ethyl]benzoic acid
CID 104546797
N-(2-methylsulfinylethyl)-3-(oxolan-2-yl)propan-1-amine
CID 104668632
N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
CID 79763588
3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 65164038
N-[2-(3-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163255

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine (CID 65163921) is N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine is CN(CCCNCCCC1CCCO1)c1ccccc1.
What is the InChIKey of N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine?
The InChIKey is CMBVIOHYBGNNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-19(16-8-3-2-4-9-16)14-7-13-18-12-5-10-17-11-6-15-20-17/h2-4,8-9,17-18H,5-7,10-15H2,1H3.
What are the key properties of N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine?
N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[3-(oxolan-2-yl)propyl]-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 65163921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).