N'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane

C15H28N2 — CID 143999012

IUPACN'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane
SMILESCC.CCN(C)CCN(C)C1=CC=CCC=C1
InChIInChI=1S/C13H22N2.C2H6/c1-4-14(2)11-12-15(3)13-9-7-5-6-8-10-13;1-2/h5,7-10H,4,6,11-12H2,1-3H3;1-2H3
InChIKeyAUETUNMGBXPUKH-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.30
Rot. Bonds5

About N'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane

N'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane (PubChem CID 143999012) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane.

Molecular Properties

Compound NameN'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane
PubChem CID143999012
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane
SMILESCC.CCN(C)CCN(C)C1=CC=CCC=C1
InChIInChI=1S/C13H22N2.C2H6/c1-4-14(2)11-12-15(3)13-9-7-5-6-8-10-13;1-2/h5,7-10H,4,6,11-12H2,1-3H3;1-2H3
InChIKeyAUETUNMGBXPUKH-UHFFFAOYSA-N
XLogP3.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane with MolForge

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Related Compounds

N-ethyl-N,N'-dimethyl-N'-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 123968478
1-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 142099582
1-(6-Fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine
CID 142226978
ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 144589100
N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 144589101
N,N-diethylcyclohexa-1,5-dien-1-amine
CID 21647339
1-Cyclohexa-1,5-dien-1-yl-4-methylpiperazine
CID 21950702
1-Methyl-4-(3-methylcyclopenta-1,4-dien-1-yl)piperazine
CID 59887826
N,N'-diethyl-N,N'-bis(4-methylidenecyclohexa-1,5-dien-1-yl)ethane-1,2-diamine
CID 67265563
N-cyclohexa-1,5-dien-1-yl-N'-ethyl-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 68344028
(1,2-dimethyl-2H-pyridin-6-yl)methanamine
CID 69647474
N-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 88944990

Frequently Asked Questions

What is the IUPAC name of N'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane?
The IUPAC name of N'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane (CID 143999012) is N'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane.
What is the SMILES notation for N'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane?
The canonical SMILES for N'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane is CC.CCN(C)CCN(C)C1=CC=CCC=C1.
What is the InChIKey of N'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane?
The InChIKey is AUETUNMGBXPUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H6/c1-4-14(2)11-12-15(3)13-9-7-5-6-8-10-13;1-2/h5,7-10H,4,6,11-12H2,1-3H3;1-2H3.
What are the key properties of N'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane?
N'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane has a molecular weight of 236.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohepta-1,3,6-trien-1-yl-N-ethyl-N,N'-dimethylethane-1,2-diamine;ethane is sourced from PubChem (CID 143999012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).