N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine

C10H18N2O — CID 116948630

IUPACN,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
SMILESCNCCC(NC)c1ccc(C)o1
InChIInChI=1S/C10H18N2O/c1-8-4-5-10(13-8)9(12-3)6-7-11-2/h4-5,9,11-12H,6-7H2,1-3H3
InChIKeyJSMACLPCHDKEAE-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.46
Rot. Bonds5

About N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine

N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine (PubChem CID 116948630) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
PubChem CID116948630
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
SMILESCNCCC(NC)c1ccc(C)o1
InChIInChI=1S/C10H18N2O/c1-8-4-5-10(13-8)9(12-3)6-7-11-2/h4-5,9,11-12H,6-7H2,1-3H3
InChIKeyJSMACLPCHDKEAE-UHFFFAOYSA-N
XLogP1.46
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116949510
5-(methylamino)-5-(5-methylfuran-2-yl)pentan-2-one
CID 116956238
N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116933940
2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115786752
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 62505102
N-methyl-1-(5-methylfuran-2-yl)-1-phenylmethanamine
CID 43481483
N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 116948599
N,N'-dimethyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116960370
2-ethyl-N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine
CID 116960840
[2-methoxy-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105321671
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 105035412
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115844818

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine (CID 116948630) is N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine is CNCCC(NC)c1ccc(C)o1.
What is the InChIKey of N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine?
The InChIKey is JSMACLPCHDKEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-4-5-10(13-8)9(12-3)6-7-11-2/h4-5,9,11-12H,6-7H2,1-3H3.
What are the key properties of N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine?
N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine has a molecular weight of 182.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(5-methylfuran-2-yl)propane-1,3-diamine is sourced from PubChem (CID 116948630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).