1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine

C14H26N2O — CID 43751641

IUPAC1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine
SMILESCc1ccc(CNC(CC(C)C)CN(C)C)o1
InChIInChI=1S/C14H26N2O/c1-11(2)8-13(10-16(4)5)15-9-14-7-6-12(3)17-14/h6-7,11,13,15H,8-10H2,1-5H3
InChIKeyWJYGRMVGIQZODI-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.65
Rot. Bonds7

About 1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine (PubChem CID 43751641) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine
PubChem CID43751641
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine
SMILESCc1ccc(CNC(CC(C)C)CN(C)C)o1
InChIInChI=1S/C14H26N2O/c1-11(2)8-13(10-16(4)5)15-9-14-7-6-12(3)17-14/h6-7,11,13,15H,8-10H2,1-5H3
InChIKeyWJYGRMVGIQZODI-UHFFFAOYSA-N
XLogP2.65
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine
CID 43792387
(2R)-N,N-dimethyl-2-[(5-methylfuran-2-yl)methylamino]propanamide
CID 93249413
2-N-[(3-fluoro-4-methylphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 63646229
1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine
CID 82711189
1-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]propan-2-amine
CID 63988709
2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol
CID 62346723
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine
CID 61044402
N-[(5-methylfuran-2-yl)methyl]hex-5-yn-3-amine
CID 115654930
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 114080332
2-N-[(3-chloro-2-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 114487462
2-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 54883577

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine (CID 43751641) is 1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine is Cc1ccc(CNC(CC(C)C)CN(C)C)o1.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine?
The InChIKey is WJYGRMVGIQZODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)8-13(10-16(4)5)15-9-14-7-6-12(3)17-14/h6-7,11,13,15H,8-10H2,1-5H3.
What are the key properties of 1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 43751641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).