7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane

C14H24N2S — CID 64870012

IUPAC7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
SMILESCCCC1CN(Cc2cccs2)C(C)CCN1
InChIInChI=1S/C14H24N2S/c1-3-5-13-10-16(12(2)7-8-15-13)11-14-6-4-9-17-14/h4,6,9,12-13,15H,3,5,7-8,10-11H2,1-2H3
InChIKeyJYYFJTFLARTOMP-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.10
Rot. Bonds4

About 7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane

7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane (PubChem CID 64870012) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
PubChem CID64870012
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
SMILESCCCC1CN(Cc2cccs2)C(C)CCN1
InChIInChI=1S/C14H24N2S/c1-3-5-13-10-16(12(2)7-8-15-13)11-14-6-4-9-17-14/h4,6,9,12-13,15H,3,5,7-8,10-11H2,1-2H3
InChIKeyJYYFJTFLARTOMP-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-7-methyl-3-propyl-1,4-diazepane
CID 64869815
1-[(2,6-difluorophenyl)methyl]-7-methyl-3-propyl-1,4-diazepane
CID 114934653
2-butan-2-yl-5-propyl-1-(thiophen-2-ylmethyl)piperazine
CID 64839947
3,3-diethyl-7-methyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64871653
1-[(5-fluoro-2-methylphenyl)methyl]-7-methyl-3-propyl-1,4-diazepane
CID 105375765
3,3,7-trimethyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64869207
1-butyl-7-methyl-3-propyl-1,4-diazepane
CID 64870790
7-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propyl-1,4-diazepane
CID 107056267
1-[(3-bromo-4-fluorophenyl)methyl]-7-methyl-3-propyl-1,4-diazepane
CID 64869413
1-[(5-chlorothiophen-2-yl)methyl]-2-methyl-5-propylpiperazine
CID 64846938
7-methyl-1-(2-propan-2-yloxyethyl)-3-propyl-1,4-diazepane
CID 64871391
3,7-dimethyl-3-phenyl-1-(thiophen-2-ylmethyl)-1,4-diazepane
CID 64870631

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane?
The IUPAC name of 7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane (CID 64870012) is 7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane?
The canonical SMILES for 7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane is CCCC1CN(Cc2cccs2)C(C)CCN1.
What is the InChIKey of 7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane?
The InChIKey is JYYFJTFLARTOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-5-13-10-16(12(2)7-8-15-13)11-14-6-4-9-17-14/h4,6,9,12-13,15H,3,5,7-8,10-11H2,1-2H3.
What are the key properties of 7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane?
7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane has a molecular weight of 252.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-propyl-1-(thiophen-2-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 64870012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).