1-[(4-propylphenyl)methyl]-1,4-diazepane

C15H24N2 — CID 82128938

IUPAC1-[(4-propylphenyl)methyl]-1,4-diazepane
SMILESCCCc1ccc(CN2CCCNCC2)cc1
InChIInChI=1S/C15H24N2/c1-2-4-14-5-7-15(8-6-14)13-17-11-3-9-16-10-12-17/h5-8,16H,2-4,9-13H2,1H3
InChIKeyUMBAGAUDCHJATM-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.43
Rot. Bonds4

About 1-[(4-propylphenyl)methyl]-1,4-diazepane

1-[(4-propylphenyl)methyl]-1,4-diazepane (PubChem CID 82128938) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(4-propylphenyl)methyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[(4-propylphenyl)methyl]-1,4-diazepane
PubChem CID82128938
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[(4-propylphenyl)methyl]-1,4-diazepane
SMILESCCCc1ccc(CN2CCCNCC2)cc1
InChIInChI=1S/C15H24N2/c1-2-4-14-5-7-15(8-6-14)13-17-11-3-9-16-10-12-17/h5-8,16H,2-4,9-13H2,1H3
InChIKeyUMBAGAUDCHJATM-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

propane;1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 177343128
1-[(4-ethylphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906411
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
11-[[4-(1,4,7,11-tetrazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,4,7,11-tetrazacyclotetradecane;octahydrobromide
CID 142646286
4-(1,4-diazepan-1-ylmethyl)aniline
CID 82162727
1-[(4-methylsulfanylphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906325
4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)aniline
CID 11174238
5-[[4-(1,5,8,13-tetrazabicyclo[11.2.2]heptadecan-5-ylmethyl)phenyl]methyl]-1,5,8,13-tetrazabicyclo[11.2.2]heptadecane
CID 158835050
acetic acid;2-[4-(1,4-diazepan-1-ylmethyl)phenyl]acetic acid
CID 154911280
1-[2-(4-methylphenyl)ethyl]-1,4-diazepane
CID 82079414
1-(pyridin-4-ylmethyl)-1,4,8,11-tetrazacyclotetradecane
CID 71676639

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propylphenyl)methyl]-1,4-diazepane?
The IUPAC name of 1-[(4-propylphenyl)methyl]-1,4-diazepane (CID 82128938) is 1-[(4-propylphenyl)methyl]-1,4-diazepane.
What is the SMILES notation for 1-[(4-propylphenyl)methyl]-1,4-diazepane?
The canonical SMILES for 1-[(4-propylphenyl)methyl]-1,4-diazepane is CCCc1ccc(CN2CCCNCC2)cc1.
What is the InChIKey of 1-[(4-propylphenyl)methyl]-1,4-diazepane?
The InChIKey is UMBAGAUDCHJATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-4-14-5-7-15(8-6-14)13-17-11-3-9-16-10-12-17/h5-8,16H,2-4,9-13H2,1H3.
What are the key properties of 1-[(4-propylphenyl)methyl]-1,4-diazepane?
1-[(4-propylphenyl)methyl]-1,4-diazepane has a molecular weight of 232.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propylphenyl)methyl]-1,4-diazepane is sourced from PubChem (CID 82128938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).