N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine

C13H22N2O — CID 62422353

IUPACN-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1cc(C)c(CN)o1)C1CC1
InChIInChI=1S/C13H22N2O/c1-3-6-15(11-4-5-11)9-12-7-10(2)13(8-14)16-12/h7,11H,3-6,8-9,14H2,1-2H3
InChIKeyANZHIKXVQWUTIY-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.42
Rot. Bonds6

About N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine

N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine (PubChem CID 62422353) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine
PubChem CID62422353
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine
SMILESCCCN(Cc1cc(C)c(CN)o1)C1CC1
InChIInChI=1S/C13H22N2O/c1-3-6-15(11-4-5-11)9-12-7-10(2)13(8-14)16-12/h7,11H,3-6,8-9,14H2,1-2H3
InChIKeyANZHIKXVQWUTIY-UHFFFAOYSA-N
XLogP2.42
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine
CID 62423925
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-propylcyclopropanamine
CID 62422354
N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine
CID 62428779
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 62436351
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine
CID 62856054
4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline
CID 43270531
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 62462362
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine
CID 62430564
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine
CID 43270092
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 62413633
N-ethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62425039
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-propylcyclopropanamine
CID 63887449

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine?
The IUPAC name of N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine (CID 62422353) is N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine?
The canonical SMILES for N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine is CCCN(Cc1cc(C)c(CN)o1)C1CC1.
What is the InChIKey of N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine?
The InChIKey is ANZHIKXVQWUTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-6-15(11-4-5-11)9-12-7-10(2)13(8-14)16-12/h7,11H,3-6,8-9,14H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine?
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine has a molecular weight of 222.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine is sourced from PubChem (CID 62422353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).