1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine

C14H24N2O — CID 83054358

IUPAC1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine
SMILESCCCC(CNC1CC1)N(C)Cc1ccco1
InChIInChI=1S/C14H24N2O/c1-3-5-13(10-15-12-7-8-12)16(2)11-14-6-4-9-17-14/h4,6,9,12-13,15H,3,5,7-8,10-11H2,1-2H3
InChIKeyKLKSJMLCRONBPR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.63
Rot. Bonds8

About 1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine

1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine (PubChem CID 83054358) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine
PubChem CID83054358
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine
SMILESCCCC(CNC1CC1)N(C)Cc1ccco1
InChIInChI=1S/C14H24N2O/c1-3-5-13(10-15-12-7-8-12)16(2)11-14-6-4-9-17-14/h4,6,9,12-13,15H,3,5,7-8,10-11H2,1-2H3
InChIKeyKLKSJMLCRONBPR-UHFFFAOYSA-N
XLogP2.63
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopentyl-2-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569713
N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62420056
1-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054292
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62421172
1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 55003773
1-N-cyclopropyl-2-N-methyl-2-N-(2-methylbutyl)pentane-1,2-diamine
CID 83054076
N-[2-(furan-2-ylmethoxy)propyl]cyclopropanamine
CID 62444662
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62461060
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62569525
N-[[5-[[furan-2-ylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62421548
4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 62420064
6-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 62280784

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine (CID 83054358) is 1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine is CCCC(CNC1CC1)N(C)Cc1ccco1.
What is the InChIKey of 1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine?
The InChIKey is KLKSJMLCRONBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-13(10-15-12-7-8-12)16(2)11-14-6-4-9-17-14/h4,6,9,12-13,15H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine?
1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine is sourced from PubChem (CID 83054358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).