2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine

C13H22N2O — CID 62569948

IUPAC2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
SMILESCC(CNCc1ccco1)N(C)CC1CC1
InChIInChI=1S/C13H22N2O/c1-11(15(2)10-12-5-6-12)8-14-9-13-4-3-7-16-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3
InChIKeyHQSUVSGISXHDBF-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.10
Rot. Bonds7

About 2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine

2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine (PubChem CID 62569948) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
PubChem CID62569948
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
SMILESCC(CNCc1ccco1)N(C)CC1CC1
InChIInChI=1S/C13H22N2O/c1-11(15(2)10-12-5-6-12)8-14-9-13-4-3-7-16-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3
InChIKeyHQSUVSGISXHDBF-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

2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 64521491
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(oxan-2-ylmethyl)propane-1,2-diamine
CID 62570331
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569923
2-N-[3-(dimethylamino)propyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 55226797
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 105418195
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine
CID 62570711
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569447
2-N-(cyclopropylmethyl)-2-N-methyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62569378
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)propan-1-amine
CID 62597661
N'-butan-2-yl-N-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62559417
2-cyclopentylsulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 63115985

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine (CID 62569948) is 2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine is CC(CNCc1ccco1)N(C)CC1CC1.
What is the InChIKey of 2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is HQSUVSGISXHDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(15(2)10-12-5-6-12)8-14-9-13-4-3-7-16-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3.
What are the key properties of 2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine?
2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-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 2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62569948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).