N',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine

C19H34N4O — CID 75131570

IUPACN',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine
SMILESCC1=CC(CNCCN(C)C)C(C(C)C)CC1Cc1nnc(C)o1
InChIInChI=1S/C19H34N4O/c1-13(2)18-10-16(11-19-22-21-15(4)24-19)14(3)9-17(18)12-20-7-8-23(5)6/h9,13,16-18,20H,7-8,10-12H2,1-6H3
InChIKeyACNDWXVHJOGGKH-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.93
Rot. Bonds8

About N',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine

N',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine (PubChem CID 75131570) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is N',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine
PubChem CID75131570
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC NameN',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine
SMILESCC1=CC(CNCCN(C)C)C(C(C)C)CC1Cc1nnc(C)o1
InChIInChI=1S/C19H34N4O/c1-13(2)18-10-16(11-19-22-21-15(4)24-19)14(3)9-17(18)12-20-7-8-23(5)6/h9,13,16-18,20H,7-8,10-12H2,1-6H3
InChIKeyACNDWXVHJOGGKH-UHFFFAOYSA-N
XLogP2.93
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine (CID 75131570) is N',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine is CC1=CC(CNCCN(C)C)C(C(C)C)CC1Cc1nnc(C)o1.
What is the InChIKey of N',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine?
The InChIKey is ACNDWXVHJOGGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-13(2)18-10-16(11-19-22-21-15(4)24-19)14(3)9-17(18)12-20-7-8-23(5)6/h9,13,16-18,20H,7-8,10-12H2,1-6H3.
What are the key properties of N',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine has a molecular weight of 334.51 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 75131570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).