N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine

C13H28N2O — CID 62575446

IUPACN'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNCC1CCOC1)CC(C)C
InChIInChI=1S/C13H28N2O/c1-4-15(10-12(2)3)7-6-14-9-13-5-8-16-11-13/h12-14H,4-11H2,1-3H3
InChIKeyKWIDDEJGVLEJOH-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.59
Rot. Bonds8

About N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine

N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 62575446) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
PubChem CID62575446
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNCC1CCOC1)CC(C)C
InChIInChI=1S/C13H28N2O/c1-4-15(10-12(2)3)7-6-14-9-13-5-8-16-11-13/h12-14H,4-11H2,1-3H3
InChIKeyKWIDDEJGVLEJOH-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.59
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

N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)-N'-pentan-3-ylethane-1,2-diamine
CID 79490780
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
CID 93449849
N'-ethyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62553668
N-(cyclopropylmethyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61378857
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62582572
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
N'-butan-2-yl-N'-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 115685568
N'-(2-methoxyethyl)-N'-methyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62557389
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine (CID 62575446) is N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine is CCN(CCNCC1CCOC1)CC(C)C.
What is the InChIKey of N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is KWIDDEJGVLEJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-15(10-12(2)3)7-6-14-9-13-5-8-16-11-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine?
N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylpropyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62575446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).