2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine

C24H48N8 — CID 155177393

IUPAC2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN2C=CN(CC2)CCN(CCN(C)C)CCN2C=CN(CC2)CC1
InChIInChI=1S/C24H48N8/c1-25(2)5-7-27-9-13-29-17-21-31(22-18-29)15-11-28(8-6-26(3)4)12-16-32-23-19-30(14-10-27)20-24-32/h17,19,21,23H,5-16,18,20,22,24H2,1-4H3
InChIKeyVCIUPKCTYVSWBH-UHFFFAOYSA-N
MW448.70 g/mol
LogP-0.10
Rot. Bonds6

About 2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine

2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine (PubChem CID 155177393) has the molecular formula C24H48N8 and a molecular weight of 448.70 g/mol. Its IUPAC name is 2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine
PubChem CID155177393
Molecular FormulaC24H48N8
Molecular Weight448.70 g/mol
Exact Mass448.40
IUPAC Name2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN2C=CN(CC2)CCN(CCN(C)C)CCN2C=CN(CC2)CC1
InChIInChI=1S/C24H48N8/c1-25(2)5-7-27-9-13-29-17-21-31(22-18-29)15-11-28(8-6-26(3)4)12-16-32-23-19-30(14-10-27)20-24-32/h17,19,21,23H,5-16,18,20,22,24H2,1-4H3
InChIKeyVCIUPKCTYVSWBH-UHFFFAOYSA-N
XLogP-0.10
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.70
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl-trifluoroboranuide
CID 55233982
2-(4,4-dimethylpiperazin-4-ium-1-yl)-N,N-dimethylethanamine
CID 139156598
2-bromo-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 114328631
N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine
CID 62887185
N,N-dimethyl-2-(4-pent-4-ynylpiperazin-1-yl)ethanamine
CID 115872596
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 66222136
4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline
CID 62888220
zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethylhexan-1-amine
CID 65296194

Frequently Asked Questions

What is the IUPAC name of 2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine (CID 155177393) is 2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN2C=CN(CC2)CCN(CCN(C)C)CCN2C=CN(CC2)CC1.
What is the InChIKey of 2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine?
The InChIKey is VCIUPKCTYVSWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N8/c1-25(2)5-7-27-9-13-29-17-21-31(22-18-29)15-11-28(8-6-26(3)4)12-16-32-23-19-30(14-10-27)20-24-32/h17,19,21,23H,5-16,18,20,22,24H2,1-4H3.
What are the key properties of 2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine?
2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine has a molecular weight of 448.70 g/mol, XLogP of -0.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 155177393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).