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

C12H20N2O — CID 79469279

IUPAC3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine
SMILESCc1occc1CN(C)C1CCC(N)C1
InChIInChI=1S/C12H20N2O/c1-9-10(5-6-15-9)8-14(2)12-4-3-11(13)7-12/h5-6,11-12H,3-4,7-8,13H2,1-2H3
InChIKeyDNVWCGGDJPHIGN-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.90
Rot. Bonds3

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

3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine (PubChem CID 79469279) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine
PubChem CID79469279
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine
SMILESCc1occc1CN(C)C1CCC(N)C1
InChIInChI=1S/C12H20N2O/c1-9-10(5-6-15-9)8-14(2)12-4-3-11(13)7-12/h5-6,11-12H,3-4,7-8,13H2,1-2H3
InChIKeyDNVWCGGDJPHIGN-UHFFFAOYSA-N
XLogP1.90
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methylcyclopentane-1,3-diamine
CID 79468727
trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 102731964
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 61426304
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094127
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707768
2-cyclopropyl-1-N-methyl-1-N-[(2-methylfuran-3-yl)methyl]propane-1,2-diamine
CID 61424071
N,3,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]piperidin-4-amine
CID 114235703
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclopentane-1-carbonitrile
CID 55137173
2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]cyclobutan-1-amine
CID 80996990
3-N-methyl-3-N-(pyridin-2-ylmethyl)cyclopentane-1,3-diamine
CID 79469541
1-(aminomethyl)-N,2,5-trimethyl-N-[(2-methylfuran-3-yl)methyl]cyclohexan-1-amine
CID 64762726

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine (CID 79469279) is 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine is Cc1occc1CN(C)C1CCC(N)C1.
What is the InChIKey of 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine?
The InChIKey is DNVWCGGDJPHIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-10(5-6-15-9)8-14(2)12-4-3-11(13)7-12/h5-6,11-12H,3-4,7-8,13H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine?
3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79469279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).