N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine

C13H22N2O — CID 62420056

IUPACN-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
SMILESCC(CNC1CC1)CN(C)Cc1ccco1
InChIInChI=1S/C13H22N2O/c1-11(8-14-12-5-6-12)9-15(2)10-13-4-3-7-16-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3
InChIKeyVTYSVDGDXQRNDL-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.10
Rot. Bonds7

About N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine

N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 62420056) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID62420056
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
SMILESCC(CNC1CC1)CN(C)Cc1ccco1
InChIInChI=1S/C13H22N2O/c1-11(8-14-12-5-6-12)9-15(2)10-13-4-3-7-16-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3
InChIKeyVTYSVDGDXQRNDL-UHFFFAOYSA-N
XLogP2.10
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-cyclopropyl-2-N-(furan-2-ylmethyl)-2-N-methylpentane-1,2-diamine
CID 83054358
1-N-cyclopentyl-2-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569713
N-[2-(furan-2-ylmethoxy)propyl]cyclopropanamine
CID 62444662
N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62433595
1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 55003773
N-[[5-[[furan-2-ylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62421548
N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62411687
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine
CID 81079891
1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine
CID 62702659
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
N-ethyl-2-[[furan-2-ylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62708305

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine (CID 62420056) is N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine is CC(CNC1CC1)CN(C)Cc1ccco1.
What is the InChIKey of N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is VTYSVDGDXQRNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(8-14-12-5-6-12)9-15(2)10-13-4-3-7-16-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(furan-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62420056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).