N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C16H31N3O — CID 62428599

IUPACN'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCNCc1ccoc1CN(CCN(C)C)CC(C)C
InChIInChI=1S/C16H31N3O/c1-6-17-11-15-7-10-20-16(15)13-19(12-14(2)3)9-8-18(4)5/h7,10,14,17H,6,8-9,11-13H2,1-5H3
InChIKeyKOQQIOKRBYGNFV-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.41
Rot. Bonds10

About N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62428599) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62428599
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCNCc1ccoc1CN(CCN(C)C)CC(C)C
InChIInChI=1S/C16H31N3O/c1-6-17-11-15-7-10-20-16(15)13-19(12-14(2)3)9-8-18(4)5/h7,10,14,17H,6,8-9,11-13H2,1-5H3
InChIKeyKOQQIOKRBYGNFV-UHFFFAOYSA-N
XLogP2.41
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine with MolForge

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Related Compounds

N'-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62426635
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 62429369
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62463764
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 63699522
N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine
CID 106887200
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
CID 62417583
N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62413581
N'-[[3-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436711
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62431552
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]ethanamine
CID 62438666
N,3-dimethyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62432117
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline
CID 62435038

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 62428599) is N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CCNCc1ccoc1CN(CCN(C)C)CC(C)C.
What is the InChIKey of N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is KOQQIOKRBYGNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-17-11-15-7-10-20-16(15)13-19(12-14(2)3)9-8-18(4)5/h7,10,14,17H,6,8-9,11-13H2,1-5H3.
What are the key properties of N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 281.44 g/mol, XLogP of 2.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62428599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).