4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine

C13H28N2O — CID 64709069

IUPAC4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine
SMILESCCN(CC1CCCO1)C(C)CC(C)NC
InChIInChI=1S/C13H28N2O/c1-5-15(10-13-7-6-8-16-13)12(3)9-11(2)14-4/h11-14H,5-10H2,1-4H3
InChIKeyZGKDUHKRYSKURI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds7

About 4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine

4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine (PubChem CID 64709069) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine
PubChem CID64709069
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine
SMILESCCN(CC1CCCO1)C(C)CC(C)NC
InChIInChI=1S/C13H28N2O/c1-5-15(10-13-7-6-8-16-13)12(3)9-11(2)14-4/h11-14H,5-10H2,1-4H3
InChIKeyZGKDUHKRYSKURI-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pentane-2,4-diamine
CID 64708863
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854
N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 55087706
1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 62428927
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
N-ethyl-N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 113462152
ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64710254
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 63939905
N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine
CID 106496026
4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide
CID 66427136
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)propan-2-amine
CID 63388013

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine (CID 64709069) is 4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine is CCN(CC1CCCO1)C(C)CC(C)NC.
What is the InChIKey of 4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine?
The InChIKey is ZGKDUHKRYSKURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-15(10-13-7-6-8-16-13)12(3)9-11(2)14-4/h11-14H,5-10H2,1-4H3.
What are the key properties of 4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine?
4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine is sourced from PubChem (CID 64709069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).