2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine

C13H22N2O — CID 61424071

IUPAC2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine
SMILESCc1occc1CN(C)CC(C)(N)C1CC1
InChIInChI=1S/C13H22N2O/c1-10-11(6-7-16-10)8-15(3)9-13(2,14)12-4-5-12/h6-7,12H,4-5,8-9,14H2,1-3H3
InChIKeyOBDIBYYGHHHRQO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.15
Rot. Bonds5

About 2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine

2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine (PubChem CID 61424071) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine
PubChem CID61424071
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine
SMILESCc1occc1CN(C)CC(C)(N)C1CC1
InChIInChI=1S/C13H22N2O/c1-10-11(6-7-16-10)8-15(3)9-13(2,14)12-4-5-12/h6-7,12H,4-5,8-9,14H2,1-3H3
InChIKeyOBDIBYYGHHHRQO-UHFFFAOYSA-N
XLogP2.15
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol
CID 114495435
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol
CID 115919434
N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine
CID 62260747
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094127
1-(aminomethyl)-4-tert-butyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine
CID 63471377
2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal
CID 62275710
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclobutan-1-amine
CID 81170245
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
CID 61426662
N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 62260916
3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine
CID 79469279

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine (CID 61424071) is 2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine is Cc1occc1CN(C)CC(C)(N)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine?
The InChIKey is OBDIBYYGHHHRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-11(6-7-16-10)8-15(3)9-13(2,14)12-4-5-12/h6-7,12H,4-5,8-9,14H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine?
2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 61424071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).