2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine

C14H22N2O — CID 55087669

IUPAC2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H22N2O/c1-3-8-15-10-12(2)16(13-6-7-13)11-14-5-4-9-17-14/h3-5,9,12-13,15H,1,6-8,10-11H2,2H3
InChIKeyMKSCMSSENGOWOR-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.41
Rot. Bonds8

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

2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 55087669) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID55087669
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(Cc1ccco1)C1CC1
InChIInChI=1S/C14H22N2O/c1-3-8-15-10-12(2)16(13-6-7-13)11-14-5-4-9-17-14/h3-5,9,12-13,15H,1,6-8,10-11H2,2H3
InChIKeyMKSCMSSENGOWOR-UHFFFAOYSA-N
XLogP2.41
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62569642
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 64521491
2-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylbutanoic acid
CID 55003590
N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62411687
3-[cyclopropyl(furan-2-ylmethyl)amino]pentanoic acid
CID 63074216
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 62556721
2-N-(cyclopropylmethyl)-1-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569948
1-N-cyclopentyl-2-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569713
(2R)-1-(furan-2-ylmethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 93381179
N-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 103569541
N'-cyclopropyl-N-[4-(furan-2-yl)butan-2-yl]-N'-methylethane-1,2-diamine
CID 55142379
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62569525

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine (CID 55087669) is 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine is C=CCNCC(C)N(Cc1ccco1)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is MKSCMSSENGOWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-8-15-10-12(2)16(13-6-7-13)11-14-5-4-9-17-14/h3-5,9,12-13,15H,1,6-8,10-11H2,2H3.
What are the key properties of 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine?
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 55087669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).