N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine

C18H32N2O — CID 62428779

IUPACN-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1cc(C)c(CNC(C)(C)C)o1)C1CC1
InChIInChI=1S/C18H32N2O/c1-6-7-10-20(15-8-9-15)13-16-11-14(2)17(21-16)12-19-18(3,4)5/h11,15,19H,6-10,12-13H2,1-5H3
InChIKeyKOBUUQIKVIHXCJ-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.24
Rot. Bonds8

About N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine

N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 62428779) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID62428779
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1cc(C)c(CNC(C)(C)C)o1)C1CC1
InChIInChI=1S/C18H32N2O/c1-6-7-10-20(15-8-9-15)13-16-11-14(2)17(21-16)12-19-18(3,4)5/h11,15,19H,6-10,12-13H2,1-5H3
InChIKeyKOBUUQIKVIHXCJ-UHFFFAOYSA-N
XLogP4.24
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 62429311
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine
CID 62422353
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63657143
N-butyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62430378
N-[2-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methoxy]ethyl]-N-methylcyclopropanamine
CID 102740914
N-[[5-(2-butoxyethoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62456393
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62422910
2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62436432
N-[[5-[3-(dimethylamino)propoxymethyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62460612
N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62444441
N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]-N-methylaniline
CID 62438515
N-ethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62425039

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine (CID 62428779) is N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine is CCCCN(Cc1cc(C)c(CNC(C)(C)C)o1)C1CC1.
What is the InChIKey of N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is KOBUUQIKVIHXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-7-10-20(15-8-9-15)13-16-11-14(2)17(21-16)12-19-18(3,4)5/h11,15,19H,6-10,12-13H2,1-5H3.
What are the key properties of N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine?
N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine has a molecular weight of 292.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62428779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).