N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine

C13H22N2O — CID 62430054

IUPACN-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
SMILESCCCN(Cc1ccc(CN)o1)CC1CC1
InChIInChI=1S/C13H22N2O/c1-2-7-15(9-11-3-4-11)10-13-6-5-12(8-14)16-13/h5-6,11H,2-4,7-10,14H2,1H3
InChIKeyWLMZMBYWAUUNSD-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.36
Rot. Bonds7

About N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine

N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine (PubChem CID 62430054) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
PubChem CID62430054
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
SMILESCCCN(Cc1ccc(CN)o1)CC1CC1
InChIInChI=1S/C13H22N2O/c1-2-7-15(9-11-3-4-11)10-13-6-5-12(8-14)16-13/h5-6,11H,2-4,7-10,14H2,1H3
InChIKeyWLMZMBYWAUUNSD-UHFFFAOYSA-N
XLogP2.36
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[[cyclopropylmethyl(propyl)amino]methyl]aniline
CID 79582315
5-[[cyclopropylmethyl(propyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61441661
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62431237
N-(cyclopropylmethyl)-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103438328
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 62017800
5-[[cyclopropylmethyl(2-hydroxyethyl)amino]methyl]furan-2-carbonitrile
CID 115882324
5-bromo-2-[[cyclopropylmethyl(propyl)amino]methyl]aniline
CID 79712980
[5-[(dipropylamino)methyl]furan-2-yl]methanol
CID 115879634
N-(cyclopropylmethyl)-N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]propan-1-amine
CID 62430415
4-[[cyclopropylmethyl(propyl)amino]methyl]benzohydrazide
CID 63583220
4-[[cyclopropylmethyl(propyl)amino]methyl]benzenecarboximidamide
CID 61441796
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?
The IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine (CID 62430054) is N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine.
What is the SMILES notation for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?
The canonical SMILES for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine is CCCN(Cc1ccc(CN)o1)CC1CC1.
What is the InChIKey of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?
The InChIKey is WLMZMBYWAUUNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-7-15(9-11-3-4-11)10-13-6-5-12(8-14)16-13/h5-6,11H,2-4,7-10,14H2,1H3.
What are the key properties of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine?
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine is sourced from PubChem (CID 62430054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).