N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine

C14H26N2O — CID 55072235

IUPACN-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNC(C)(C)C)Cc1ccoc1
InChIInChI=1S/C14H26N2O/c1-14(2,3)15-8-5-6-9-16(4)11-13-7-10-17-12-13/h7,10,12,15H,5-6,8-9,11H2,1-4H3
InChIKeySENPMQHNAJBKFW-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.88
Rot. Bonds7

About N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine

N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine (PubChem CID 55072235) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine
PubChem CID55072235
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNC(C)(C)C)Cc1ccoc1
InChIInChI=1S/C14H26N2O/c1-14(2,3)15-8-5-6-9-16(4)11-13-7-10-17-12-13/h7,10,12,15H,5-6,8-9,11H2,1-4H3
InChIKeySENPMQHNAJBKFW-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
CID 62423998
N-tert-butyl-N'-[(4-chlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 55069035
3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
CID 61422654
N-tert-butyl-N'-methyl-N'-[(4-methylphenyl)methyl]propane-1,3-diamine
CID 60851524
N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60850476
N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62557516
3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal
CID 62275696
N-tert-butyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 61426899
N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 55089307
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62461132
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346572
N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62558207

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine (CID 55072235) is N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine is CN(CCCCNC(C)(C)C)Cc1ccoc1.
What is the InChIKey of N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine?
The InChIKey is SENPMQHNAJBKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,3)15-8-5-6-9-16(4)11-13-7-10-17-12-13/h7,10,12,15H,5-6,8-9,11H2,1-4H3.
What are the key properties of N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine?
N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 55072235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).