N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine

C13H22N2O — CID 62417034

IUPACN-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)NCc1ccc(CN(C)C2CC2)o1
InChIInChI=1S/C13H22N2O/c1-10(2)14-8-12-6-7-13(16-12)9-15(3)11-4-5-11/h6-7,10-11,14H,4-5,8-9H2,1-3H3
InChIKeyHRLCDKUJDRUWTG-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.37
Rot. Bonds6

About N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine

N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62417034) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62417034
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)NCc1ccc(CN(C)C2CC2)o1
InChIInChI=1S/C13H22N2O/c1-10(2)14-8-12-6-7-13(16-12)9-15(3)11-4-5-11/h6-7,10-11,14H,4-5,8-9H2,1-3H3
InChIKeyHRLCDKUJDRUWTG-UHFFFAOYSA-N
XLogP2.37
TPSA28.41 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62418506
N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62418314
N,3-dimethyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62432829
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcycloheptanamine
CID 62434036
N,N,N'-trimethyl-N'-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]ethane-1,2-diamine
CID 55226601
N-methyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cycloheptanamine
CID 62433864
4-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79110587
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]oxan-4-amine
CID 62431851
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-1-amine
CID 55074599
N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63210843
N-[[5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421015
N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79491008

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine (CID 62417034) is N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine is CC(C)NCc1ccc(CN(C)C2CC2)o1.
What is the InChIKey of N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is HRLCDKUJDRUWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)14-8-12-6-7-13(16-12)9-15(3)11-4-5-11/h6-7,10-11,14H,4-5,8-9H2,1-3H3.
What are the key properties of N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine?
N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 222.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62417034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).