N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

C16H28N4O — CID 107053590

IUPACN-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCn1cc(CC2(CNC(C)(C)C)CCOC2C2CC2)nn1
InChIInChI=1S/C16H28N4O/c1-15(2,3)17-11-16(9-13-10-20(4)19-18-13)7-8-21-14(16)12-5-6-12/h10,12,14,17H,5-9,11H2,1-4H3
InChIKeyFHCIOVWYHXNBBP-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.93
Rot. Bonds5

About N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107053590) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID107053590
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCn1cc(CC2(CNC(C)(C)C)CCOC2C2CC2)nn1
InChIInChI=1S/C16H28N4O/c1-15(2,3)17-11-16(9-13-10-20(4)19-18-13)7-8-21-14(16)12-5-6-12/h10,12,14,17H,5-9,11H2,1-4H3
InChIKeyFHCIOVWYHXNBBP-UHFFFAOYSA-N
XLogP1.93
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N,3-dimethyl-3-[3-methyl-3-[4-(2,2,4,4-tetramethylpentyl)triazol-1-yl]butoxy]butan-1-amine
CID 138715749
5-[3-Ethyl-3,5-dimethyl-5-[4-(2,4,4,5-tetramethylhexan-2-yl)triazol-1-yl]hexan-2-yl]oxy-2,3,3-trimethylpentan-2-amine
CID 169833920
2-methyl-4-[3-methyl-1-(1-propan-2-yltriazol-4-yl)pentan-3-yl]oxy-N-propan-2-ylbutan-2-amine
CID 177193470
4-[1-(1-Oxaspiro[4.5]decan-2-ylmethyl)triazol-4-yl]butan-1-amine
CID 102902660
N-methyl-1-(3-propyltriazol-4-yl)-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105038501
N-methyl-1-(2-methyloxolan-3-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 105038505
N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 105038829
N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038831
N-[(3-propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 105038886
(3-Propyltriazol-4-yl)-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105038887
N-[(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 105038889
N-[(5-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 105038967

Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 107053590) is N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is Cn1cc(CC2(CNC(C)(C)C)CCOC2C2CC2)nn1.
What is the InChIKey of N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is FHCIOVWYHXNBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-15(2,3)17-11-16(9-13-10-20(4)19-18-13)7-8-21-14(16)12-5-6-12/h10,12,14,17H,5-9,11H2,1-4H3.
What are the key properties of N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-[(1-methyltriazol-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107053590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).