1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane

C18H38N4 — CID 22955612

IUPAC1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane
SMILESC/C=C/N1CCN(C)CCN(CCC)CCN(CCC)CC1
InChIInChI=1S/C18H38N4/c1-5-8-20-13-11-19(4)12-14-21(9-6-2)16-18-22(10-7-3)17-15-20/h5,8H,6-7,9-18H2,1-4H3/b8-5+
InChIKeyMFMMSYNMRCYFMJ-VMPITWQZSA-N
MW310.53 g/mol
LogP2.19
Rot. Bonds5

About 1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane

1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane (PubChem CID 22955612) has the molecular formula C18H38N4 and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane.

Molecular Properties

Compound Name1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane
PubChem CID22955612
Molecular FormulaC18H38N4
Molecular Weight310.53 g/mol
Exact Mass310.31
IUPAC Name1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane
SMILESC/C=C/N1CCN(C)CCN(CCC)CCN(CCC)CC1
InChIInChI=1S/C18H38N4/c1-5-8-20-13-11-19(4)12-14-21(9-6-2)16-18-22(10-7-3)17-15-20/h5,8H,6-7,9-18H2,1-4H3/b8-5+
InChIKeyMFMMSYNMRCYFMJ-VMPITWQZSA-N
XLogP2.19
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane with MolForge

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Related Compounds

methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane
CID 156885712
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1,4-dimethyl-8,11-dipropyl-1,4,8,11-tetrazacyclotetradecane;nickel(2+);diperchlorate
CID 15774197
ethane;1-methyl-4-(1-propylpiperidin-4-yl)piperidine
CID 156885500
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
butane;1-ethyl-4-methylpiperazine
CID 143179774
acetaldehyde;1-ethyl-4-methylpiperazine
CID 143528036
ethane;1-methyl-4-pentylpiperazine
CID 145099418
prop-1-ene;1-propylpyrrolidine
CID 143531885
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane?
The IUPAC name of 1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane (CID 22955612) is 1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane.
What is the SMILES notation for 1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane?
The canonical SMILES for 1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane is C/C=C/N1CCN(C)CCN(CCC)CCN(CCC)CC1.
What is the InChIKey of 1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane?
The InChIKey is MFMMSYNMRCYFMJ-VMPITWQZSA-N. The full InChI is InChI=1S/C18H38N4/c1-5-8-20-13-11-19(4)12-14-21(9-6-2)16-18-22(10-7-3)17-15-20/h5,8H,6-7,9-18H2,1-4H3/b8-5+.
What are the key properties of 1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane?
1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane has a molecular weight of 310.53 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-prop-1-enyl]-7,10-dipropyl-1,4,7,10-tetrazacyclododecane is sourced from PubChem (CID 22955612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).