1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine

C13H28N2O — CID 62435187

IUPAC1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
SMILESCCNCC(C(C)C)N(C)CC1CCCO1
InChIInChI=1S/C13H28N2O/c1-5-14-9-13(11(2)3)15(4)10-12-7-6-8-16-12/h11-14H,5-10H2,1-4H3
InChIKeyHBYKFGWJFARSDU-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds7

About 1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine

1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine (PubChem CID 62435187) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
PubChem CID62435187
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
SMILESCCNCC(C(C)C)N(C)CC1CCCO1
InChIInChI=1S/C13H28N2O/c1-5-14-9-13(11(2)3)15(4)10-12-7-6-8-16-12/h11-14H,5-10H2,1-4H3
InChIKeyHBYKFGWJFARSDU-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 55087661
1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 62428927
1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 79409368
1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 62436071
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine
CID 62435890
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,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate
CID 64709105
2-cyclopentyl-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 112569824

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine (CID 62435187) is 1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine is CCNCC(C(C)C)N(C)CC1CCCO1.
What is the InChIKey of 1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The InChIKey is HBYKFGWJFARSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-14-9-13(11(2)3)15(4)10-12-7-6-8-16-12/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 62435187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).