N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine

C16H29N3O — CID 62429311

IUPACN-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1cc(CNC(C)(C)C)no1)C1CC1
InChIInChI=1S/C16H29N3O/c1-5-6-9-19(14-7-8-14)12-15-10-13(18-20-15)11-17-16(2,3)4/h10,14,17H,5-9,11-12H2,1-4H3
InChIKeyKYOGIABSYAAVSE-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.33
Rot. Bonds8

About N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine

N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine (PubChem CID 62429311) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
PubChem CID62429311
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1cc(CNC(C)(C)C)no1)C1CC1
InChIInChI=1S/C16H29N3O/c1-5-6-9-19(14-7-8-14)12-15-10-13(18-20-15)11-17-16(2,3)4/h10,14,17H,5-9,11-12H2,1-4H3
InChIKeyKYOGIABSYAAVSE-UHFFFAOYSA-N
XLogP3.33
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine
CID 62430564
N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 62429312
N-butyl-N-[[5-[(tert-butylamino)methyl]-4-methylfuran-2-yl]methyl]cyclopropanamine
CID 62428779
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62422910
N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62418473
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 81067481
N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 64520685
N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 55070156
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 64522082
N-[[5-[3-(dimethylamino)propoxymethyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62460604
N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine
CID 62547549
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethylcyclopropanamine
CID 62422956

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine (CID 62429311) is N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine is CCCCN(Cc1cc(CNC(C)(C)C)no1)C1CC1.
What is the InChIKey of N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine?
The InChIKey is KYOGIABSYAAVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-6-9-19(14-7-8-14)12-15-10-13(18-20-15)11-17-16(2,3)4/h10,14,17H,5-9,11-12H2,1-4H3.
What are the key properties of N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine?
N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine has a molecular weight of 279.43 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62429311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).