N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine

C14H26N2O — CID 113409228

IUPACN-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine
SMILESCN(CCCc1ccco1)CCNC(C)(C)C
InChIInChI=1S/C14H26N2O/c1-14(2,3)15-9-11-16(4)10-5-7-13-8-6-12-17-13/h6,8,12,15H,5,7,9-11H2,1-4H3
InChIKeyPDOSSNPOCGLHAH-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.53
Rot. Bonds7

About N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine

N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine (PubChem CID 113409228) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine
PubChem CID113409228
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine
SMILESCN(CCCc1ccco1)CCNC(C)(C)C
InChIInChI=1S/C14H26N2O/c1-14(2,3)15-9-11-16(4)10-5-7-13-8-6-12-17-13/h6,8,12,15H,5,7,9-11H2,1-4H3
InChIKeyPDOSSNPOCGLHAH-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
N'-tert-butyl-N-[4-(furan-2-yl)butan-2-yl]ethane-1,2-diamine
CID 107444697
N-tert-butyl-N'-ethyl-N'-(furan-2-ylmethyl)pentane-1,5-diamine
CID 55072248
1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine
CID 62420435
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol
CID 91833366
N-tert-butyl-N'-methyl-N'-nonylethane-1,2-diamine
CID 63526984
N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine
CID 62594005
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(furan-2-yl)-N-methylpropan-1-amine
CID 124847386
N-[3-(furan-2-yl)propyl]formamide
CID 87322197
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine (CID 113409228) is N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine is CN(CCCc1ccco1)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine?
The InChIKey is PDOSSNPOCGLHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,3)15-9-11-16(4)10-5-7-13-8-6-12-17-13/h6,8,12,15H,5,7,9-11H2,1-4H3.
What are the key properties of N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine?
N-tert-butyl-N'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 2.53, 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'-[3-(furan-2-yl)propyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 113409228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).