N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine

C12H26N2O2 — CID 82754548

IUPACN-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCOCCCNCCN(C)C1CCOC1
InChIInChI=1S/C12H26N2O2/c1-3-15-9-4-6-13-7-8-14(2)12-5-10-16-11-12/h12-13H,3-11H2,1-2H3
InChIKeyHZJVAHYWVCHNIH-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds9

About N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine

N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82754548) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82754548
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCOCCCNCCN(C)C1CCOC1
InChIInChI=1S/C12H26N2O2/c1-3-15-9-4-6-13-7-8-14(2)12-5-10-16-11-12/h12-13H,3-11H2,1-2H3
InChIKeyHZJVAHYWVCHNIH-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754461
N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754643
N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82739830
N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine
CID 62560454
N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 82739917
N-butyl-N-methyloxolan-3-amine
CID 154189060
N-(4-ethoxybutyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754362
N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82740088
N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine
CID 62431846
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82735583
N-(3-chloropropyl)-N-methyloxolan-3-amine
CID 82747859
3-ethoxy-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738389

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine (CID 82754548) is N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine is CCOCCCNCCN(C)C1CCOC1.
What is the InChIKey of N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is HZJVAHYWVCHNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-15-9-4-6-13-7-8-14(2)12-5-10-16-11-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82754548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).