2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine

C16H30N2O — CID 61426285

IUPAC2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)N(C)Cc1ccoc1C
InChIInChI=1S/C16H30N2O/c1-6-13(3)10-16(7-2,12-17)18(5)11-15-8-9-19-14(15)4/h8-9,13H,6-7,10-12,17H2,1-5H3
InChIKeyDSQKRXNCQIRUIZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.56
Rot. Bonds8

About 2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine

2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine (PubChem CID 61426285) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine
PubChem CID61426285
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)N(C)Cc1ccoc1C
InChIInChI=1S/C16H30N2O/c1-6-13(3)10-16(7-2,12-17)18(5)11-15-8-9-19-14(15)4/h8-9,13H,6-7,10-12,17H2,1-5H3
InChIKeyDSQKRXNCQIRUIZ-UHFFFAOYSA-N
XLogP3.56
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(2-bromophenyl)methyl]-2-ethyl-2-N,4-dimethylhexane-1,2-diamine
CID 63471940
2-N,2-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine
CID 80558446
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61371044
2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 113270027
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
2-N,2-diethyl-4-methyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 61437250
2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine
CID 61422931
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol
CID 115919434
N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-2-sulfonamide
CID 61384057
2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 63494502
2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol
CID 114495435
2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62258855

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine (CID 61426285) is 2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine is CCC(C)CC(CC)(CN)N(C)Cc1ccoc1C.
What is the InChIKey of 2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine?
The InChIKey is DSQKRXNCQIRUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-6-13(3)10-16(7-2,12-17)18(5)11-15-8-9-19-14(15)4/h8-9,13H,6-7,10-12,17H2,1-5H3.
What are the key properties of 2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine?
2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine has a molecular weight of 266.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N,4-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]hexane-1,2-diamine is sourced from PubChem (CID 61426285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).