N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine

C15H26N2O2 — CID 43818351

IUPACN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(CN(CCN(C)C)CC2CCOC2)o1
InChIInChI=1S/C15H26N2O2/c1-13-4-5-15(19-13)11-17(8-7-16(2)3)10-14-6-9-18-12-14/h4-5,14H,6-12H2,1-3H3
InChIKeyCELRYRAYGHRZTC-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.99
Rot. Bonds7

About N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine

N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 43818351) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
PubChem CID43818351
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(CN(CCN(C)C)CC2CCOC2)o1
InChIInChI=1S/C15H26N2O2/c1-13-4-5-15(19-13)11-17(8-7-16(2)3)10-14-6-9-18-12-14/h4-5,14H,6-12H2,1-3H3
InChIKeyCELRYRAYGHRZTC-UHFFFAOYSA-N
XLogP1.99
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-N'-[[(3R)-oxolan-3-yl]methyl]-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 95046355
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide
CID 95318029
N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 171442310
2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran
CID 112686122
(3aS,6aR)-4-[(5-methylfuran-2-yl)methyl]-1-[[(3R)-oxolan-3-yl]methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 98777209
(3aS,6aR)-4-[(5-methylfuran-2-yl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124521497
(3aS,6aR)-4-[(5-methylfuran-2-yl)methyl]-1-(oxolan-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 131660413
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 16768485
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 43818363
3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 66009251
1-(3,5-dimethylpyrazol-1-yl)-3-[furan-2-ylmethyl(oxolan-3-ylmethyl)amino]propan-2-ol
CID 43818314
2-methoxy-N-(oxolan-3-ylmethyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 50953739

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine (CID 43818351) is N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine is Cc1ccc(CN(CCN(C)C)CC2CCOC2)o1.
What is the InChIKey of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is CELRYRAYGHRZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-13-4-5-15(19-13)11-17(8-7-16(2)3)10-14-6-9-18-12-14/h4-5,14H,6-12H2,1-3H3.
What are the key properties of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine?
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43818351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).