5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline

C17H29N3 — CID 115379063

IUPAC5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline
SMILESCc1ccc(N2CC(C)CNCC(C)C2)cc1N(C)C
InChIInChI=1S/C17H29N3/c1-13-9-18-10-14(2)12-20(11-13)16-7-6-15(3)17(8-16)19(4)5/h6-8,13-14,18H,9-12H2,1-5H3
InChIKeyZCAKEPWOMZMFCU-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.74
Rot. Bonds2

About 5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline

5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline (PubChem CID 115379063) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline.

Molecular Properties

Compound Name5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline
PubChem CID115379063
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline
SMILESCc1ccc(N2CC(C)CNCC(C)C2)cc1N(C)C
InChIInChI=1S/C17H29N3/c1-13-9-18-10-14(2)12-20(11-13)16-7-6-15(3)17(8-16)19(4)5/h6-8,13-14,18H,9-12H2,1-5H3
InChIKeyZCAKEPWOMZMFCU-UHFFFAOYSA-N
XLogP2.74
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline?
The IUPAC name of 5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline (CID 115379063) is 5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline.
What is the SMILES notation for 5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline?
The canonical SMILES for 5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline is Cc1ccc(N2CC(C)CNCC(C)C2)cc1N(C)C.
What is the InChIKey of 5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline?
The InChIKey is ZCAKEPWOMZMFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13-9-18-10-14(2)12-20(11-13)16-7-6-15(3)17(8-16)19(4)5/h6-8,13-14,18H,9-12H2,1-5H3.
What are the key properties of 5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline?
5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline has a molecular weight of 275.44 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline is sourced from PubChem (CID 115379063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).