N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine

C17H28N2O — CID 64520094

IUPACN-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)CNCc1ccc(CN(CC2CC2)C2CC2)o1
InChIInChI=1S/C17H28N2O/c1-13(2)9-18-10-16-7-8-17(20-16)12-19(15-5-6-15)11-14-3-4-14/h7-8,13-15,18H,3-6,9-12H2,1-2H3
InChIKeyODMBNVKFBHXHHX-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.40
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine

N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 64520094) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID64520094
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC(C)CNCc1ccc(CN(CC2CC2)C2CC2)o1
InChIInChI=1S/C17H28N2O/c1-13(2)9-18-10-16-7-8-17(20-16)12-19(15-5-6-15)11-14-3-4-14/h7-8,13-15,18H,3-6,9-12H2,1-2H3
InChIKeyODMBNVKFBHXHHX-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431088
N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62422313
N-(2-methoxyethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62434875
N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
CID 64521279
N-[[5-(methylaminomethyl)furan-2-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 62429023
N-[[5-(methylaminomethyl)furan-2-yl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 78989912
N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62426314
N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62411453
N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715370
N,N-dimethyl-1-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-4-amine
CID 62432812
2-methyl-N-[[5-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79311221
N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62462201

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine (CID 64520094) is N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine is CC(C)CNCc1ccc(CN(CC2CC2)C2CC2)o1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is ODMBNVKFBHXHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)9-18-10-16-7-8-17(20-16)12-19(15-5-6-15)11-14-3-4-14/h7-8,13-15,18H,3-6,9-12H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine?
N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 276.42 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 64520094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).