N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine

C14H27N3O — CID 63699522

IUPACN,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
SMILESCC(C)NCc1ccoc1CN(C)CCN(C)C
InChIInChI=1S/C14H27N3O/c1-12(2)15-10-13-6-9-18-14(13)11-17(5)8-7-16(3)4/h6,9,12,15H,7-8,10-11H2,1-5H3
InChIKeyYTQJMXXLHOAKFH-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.77
Rot. Bonds8

About N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine (PubChem CID 63699522) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
PubChem CID63699522
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
SMILESCC(C)NCc1ccoc1CN(C)CCN(C)C
InChIInChI=1S/C14H27N3O/c1-12(2)15-10-13-6-9-18-14(13)11-17(5)8-7-16(3)4/h6,9,12,15H,7-8,10-11H2,1-5H3
InChIKeyYTQJMXXLHOAKFH-UHFFFAOYSA-N
XLogP1.77
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine with MolForge

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Related Compounds

N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62420559
N-[[2-[[cyclopropylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62426746
N-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62420998
N-[[2-[[(4-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62411999
N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63701262
N-[[2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431387
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431569
N-[[2-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431362
N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine
CID 63726681
N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62428599
N,N,N'-trimethyl-N'-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 55226601
N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725121

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine (CID 63699522) is N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine is CC(C)NCc1ccoc1CN(C)CCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is YTQJMXXLHOAKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)15-10-13-6-9-18-14(13)11-17(5)8-7-16(3)4/h6,9,12,15H,7-8,10-11H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 253.39 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 63699522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).