N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine

C16H28N4O — CID 106616429

IUPACN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
SMILESCC(C)(C)c1nnc(CN(CC2CC2)CC2CCCN2)o1
InChIInChI=1S/C16H28N4O/c1-16(2,3)15-19-18-14(21-15)11-20(9-12-6-7-12)10-13-5-4-8-17-13/h12-13,17H,4-11H2,1-3H3
InChIKeyVLMWFTIOKNNBNF-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.33
Rot. Bonds6

About N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine

N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine (PubChem CID 106616429) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
PubChem CID106616429
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
SMILESCC(C)(C)c1nnc(CN(CC2CC2)CC2CCCN2)o1
InChIInChI=1S/C16H28N4O/c1-16(2,3)15-19-18-14(21-15)11-20(9-12-6-7-12)10-13-5-4-8-17-13/h12-13,17H,4-11H2,1-3H3
InChIKeyVLMWFTIOKNNBNF-UHFFFAOYSA-N
XLogP2.33
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine with MolForge

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Related Compounds

1-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616386
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79703559
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614526
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616786
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604456
1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbutan-2-ol
CID 106616406
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 106604608
1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604438
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615842
1-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604413
N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
The IUPAC name of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine (CID 106616429) is N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
The canonical SMILES for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine is CC(C)(C)c1nnc(CN(CC2CC2)CC2CCCN2)o1.
What is the InChIKey of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
The InChIKey is VLMWFTIOKNNBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)15-19-18-14(21-15)11-20(9-12-6-7-12)10-13-5-4-8-17-13/h12-13,17H,4-11H2,1-3H3.
What are the key properties of N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine?
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine has a molecular weight of 292.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine is sourced from PubChem (CID 106616429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).