N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C14H26N4O — CID 66133679

IUPACN-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CC1CCCO1)C(CN)c1cncn1CC
InChIInChI=1S/C14H26N4O/c1-3-17(10-12-6-5-7-19-12)13(8-15)14-9-16-11-18(14)4-2/h9,11-13H,3-8,10,15H2,1-2H3
InChIKeyNDXCBOHPALBHBH-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.40
Rot. Bonds7

About N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 66133679) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID66133679
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CC1CCCO1)C(CN)c1cncn1CC
InChIInChI=1S/C14H26N4O/c1-3-17(10-12-6-5-7-19-12)13(8-15)14-9-16-11-18(14)4-2/h9,11-13H,3-8,10,15H2,1-2H3
InChIKeyNDXCBOHPALBHBH-UHFFFAOYSA-N
XLogP1.40
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 63208354
N-methyl-1-(3-methylimidazol-4-yl)-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 66117724
N-ethyl-1-(furan-2-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61433626
N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66134488
N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 66132849
N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130810
1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61433575
N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131396
2-methyl-1-[3-(oxolan-2-ylmethyl)imidazol-4-yl]propan-1-amine
CID 102969393
N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 63649598
1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61433486
2-(3-ethylimidazol-4-yl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 66134514

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 66133679) is N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is CCN(CC1CCCO1)C(CN)c1cncn1CC.
What is the InChIKey of N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is NDXCBOHPALBHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-3-17(10-12-6-5-7-19-12)13(8-15)14-9-16-11-18(14)4-2/h9,11-13H,3-8,10,15H2,1-2H3.
What are the key properties of N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 266.39 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 66133679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).