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

C17H30N2O — CID 62431088

IUPACN-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1ccc(CNCC(C)C)o1)C1CC1
InChIInChI=1S/C17H30N2O/c1-4-5-10-19(15-6-7-15)13-17-9-8-16(20-17)12-18-11-14(2)3/h8-9,14-15,18H,4-7,10-13H2,1-3H3
InChIKeyWUYNXUZJLBGMCE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds10

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

N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 62431088) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID62431088
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1ccc(CNCC(C)C)o1)C1CC1
InChIInChI=1S/C17H30N2O/c1-4-5-10-19(15-6-7-15)13-17-9-8-16(20-17)12-18-11-14(2)3/h8-9,14-15,18H,4-7,10-13H2,1-3H3
InChIKeyWUYNXUZJLBGMCE-UHFFFAOYSA-N
XLogP3.79
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-(2-methoxyethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62434875
N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62422313
N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 64520094
N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
CID 62429494
N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 62429312
N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
CID 80719640
N-[[5-(methylaminomethyl)furan-2-yl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 78989912
N-[[5-(methylaminomethyl)furan-2-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 62429023
2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62449718
N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine
CID 102997637
N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62462201
N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
CID 62426314

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine (CID 62431088) is N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine is CCCCN(Cc1ccc(CNCC(C)C)o1)C1CC1.
What is the InChIKey of N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is WUYNXUZJLBGMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-5-10-19(15-6-7-15)13-17-9-8-16(20-17)12-18-11-14(2)3/h8-9,14-15,18H,4-7,10-13H2,1-3H3.
What are the key properties of N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine?
N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 278.44 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62431088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).