N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine

C13H28N2O — CID 81079200

IUPACN',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
SMILESCCC(CN)CCN(CC)CC1CCCO1
InChIInChI=1S/C13H28N2O/c1-3-12(10-14)7-8-15(4-2)11-13-6-5-9-16-13/h12-13H,3-11,14H2,1-2H3
InChIKeyALJFQHPYJAUMHR-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds8

About N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine

N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine (PubChem CID 81079200) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
PubChem CID81079200
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
SMILESCCC(CN)CCN(CC)CC1CCCO1
InChIInChI=1S/C13H28N2O/c1-3-12(10-14)7-8-15(4-2)11-13-6-5-9-16-13/h12-13H,3-11,14H2,1-2H3
InChIKeyALJFQHPYJAUMHR-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65165961
4-[ethyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63027338
methyl 2-(cyclopropylamino)-4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 63055508
N'-ethyl-N-methyl-N'-(oxolan-2-ylmethyl)-1-phenylpropane-1,3-diamine
CID 62612291
N-[2-[ethyl(oxolan-2-ylmethyl)amino]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62554036
N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
CID 61433987
N'-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 43137301
N-(3-aminopropyl)-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylpropanamide
CID 61433794
1-amino-4-[methyl(oxolan-2-ylmethyl)amino]butan-2-ol
CID 64820238
5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide
CID 65260037
N'-ethyl-N-(4-methylcyclohexyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 55090223
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237

Frequently Asked Questions

What is the IUPAC name of N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine (CID 81079200) is N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine is CCC(CN)CCN(CC)CC1CCCO1.
What is the InChIKey of N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine?
The InChIKey is ALJFQHPYJAUMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-12(10-14)7-8-15(4-2)11-13-6-5-9-16-13/h12-13H,3-11,14H2,1-2H3.
What are the key properties of N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine?
N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 81079200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).