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

C16H29N3O — CID 62429312

IUPACN-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1cc(CNCC(C)C)no1)C1CC1
InChIInChI=1S/C16H29N3O/c1-4-5-8-19(15-6-7-15)12-16-9-14(18-20-16)11-17-10-13(2)3/h9,13,15,17H,4-8,10-12H2,1-3H3
InChIKeyDAACSRUPDUIJEH-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.18
Rot. Bonds10

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

N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine (PubChem CID 62429312) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
PubChem CID62429312
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
SMILESCCCCN(Cc1cc(CNCC(C)C)no1)C1CC1
InChIInChI=1S/C16H29N3O/c1-4-5-8-19(15-6-7-15)12-16-9-14(18-20-16)11-17-10-13(2)3/h9,13,15,17H,4-8,10-12H2,1-3H3
InChIKeyDAACSRUPDUIJEH-UHFFFAOYSA-N
XLogP3.18
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 62429311
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-butylcyclopropanamine
CID 62430564
N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431088
N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
CID 62429494
N-[[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62417450
N-butyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]thiophen-3-yl]methyl]cyclopropanamine
CID 80719640
2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455149
N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclopropanamine
CID 64520685
N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 63009567
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclohexanamine
CID 62423206
N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62418473
N-[[5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62463168

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine (CID 62429312) is N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine is CCCCN(Cc1cc(CNCC(C)C)no1)C1CC1.
What is the InChIKey of N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine?
The InChIKey is DAACSRUPDUIJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-5-8-19(15-6-7-15)12-16-9-14(18-20-16)11-17-10-13(2)3/h9,13,15,17H,4-8,10-12H2,1-3H3.
What are the key properties of N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine?
N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine has a molecular weight of 279.43 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[3-[(2-methylpropylamino)methyl]-1,2-oxazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62429312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).