N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine

C19H30N4O2 — CID 170704891

IUPACN-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine
SMILESCC(C)NCC1=CCC(c2cn(CCOC3CCCCO3)nn2)C=C1
InChIInChI=1S/C19H30N4O2/c1-15(2)20-13-16-6-8-17(9-7-16)18-14-23(22-21-18)10-12-25-19-5-3-4-11-24-19/h6-8,14-15,17,19-20H,3-5,9-13H2,1-2H3
InChIKeySEVMOTCMXQFNAX-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.79
Rot. Bonds8

About N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine

N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine (PubChem CID 170704891) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine
PubChem CID170704891
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine
SMILESCC(C)NCC1=CCC(c2cn(CCOC3CCCCO3)nn2)C=C1
InChIInChI=1S/C19H30N4O2/c1-15(2)20-13-16-6-8-17(9-7-16)18-14-23(22-21-18)10-12-25-19-5-3-4-11-24-19/h6-8,14-15,17,19-20H,3-5,9-13H2,1-2H3
InChIKeySEVMOTCMXQFNAX-UHFFFAOYSA-N
XLogP2.79
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]phenyl]methyl]propan-2-amine
CID 153349678
2-methyl-N-[[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 66191878
1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol
CID 113482722
4-(diethoxymethyl)-1-[2-(oxan-2-yloxy)ethyl]triazole
CID 66215547
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
methyl 1-[2-(oxan-2-yloxy)ethyl]-5-propan-2-yltriazole-4-carboxylate
CID 102643841
1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 59984584
ethyl 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylate
CID 59984579
6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one
CID 99842273
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
1-[2-(cyclopentylmethoxy)ethyl]-4-(oxolan-2-yl)triazole
CID 166257900

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine (CID 170704891) is N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine is CC(C)NCC1=CCC(c2cn(CCOC3CCCCO3)nn2)C=C1.
What is the InChIKey of N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine?
The InChIKey is SEVMOTCMXQFNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15(2)20-13-16-6-8-17(9-7-16)18-14-23(22-21-18)10-12-25-19-5-3-4-11-24-19/h6-8,14-15,17,19-20H,3-5,9-13H2,1-2H3.
What are the key properties of N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine?
N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine has a molecular weight of 346.48 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]cyclohexa-1,5-dien-1-yl]methyl]propan-2-amine is sourced from PubChem (CID 170704891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).