1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine

C13H22N2O — CID 62071760

IUPAC1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccoc1)C(CN)C1CCCC1
InChIInChI=1S/C13H22N2O/c1-15(9-11-6-7-16-10-11)13(8-14)12-4-2-3-5-12/h6-7,10,12-13H,2-5,8-9,14H2,1H3
InChIKeyRHPAMRIYFQVBLX-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.23
Rot. Bonds5

About 1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine

1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine (PubChem CID 62071760) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
PubChem CID62071760
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccoc1)C(CN)C1CCCC1
InChIInChI=1S/C13H22N2O/c1-15(9-11-6-7-16-10-11)13(8-14)12-4-2-3-5-12/h6-7,10,12-13H,2-5,8-9,14H2,1H3
InChIKeyRHPAMRIYFQVBLX-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-3-ylmethyl)-N-methyl-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132646
1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527381
1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 79984790
3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 104710880
2-N-(furan-3-ylmethyl)-2-N-methylcyclohexane-1,2-diamine
CID 61422604
2-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcycloheptan-1-amine
CID 61421775
3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine
CID 61421973
N-[(2-chlorophenyl)methyl]-1-cyclohexyl-N-methylethane-1,2-diamine
CID 61416900
1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 116651532
N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 61422487
1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 116651200
1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 66142235

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine (CID 62071760) is 1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine is CN(Cc1ccoc1)C(CN)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The InChIKey is RHPAMRIYFQVBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(9-11-6-7-16-10-11)13(8-14)12-4-2-3-5-12/h6-7,10,12-13H,2-5,8-9,14H2,1H3.
What are the key properties of 1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 62071760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).