N'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine

C11H20N2 — CID 141086248

IUPACN'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)CC1=CC=CCC1
InChIInChI=1S/C11H20N2/c1-12-8-9-13(2)10-11-6-4-3-5-7-11/h3-4,6,12H,5,7-10H2,1-2H3
InChIKeyBYJXARJPLRPFFP-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.41
Rot. Bonds5

About N'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine

N'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 141086248) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID141086248
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)CC1=CC=CCC1
InChIInChI=1S/C11H20N2/c1-12-8-9-13(2)10-11-6-4-3-5-7-11/h3-4,6,12H,5,7-10H2,1-2H3
InChIKeyBYJXARJPLRPFFP-UHFFFAOYSA-N
XLogP1.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[4-(cyclohexa-1,3-dien-1-ylmethylamino)butyl]butane-1,4-diamine;trihydrochloride
CID 45265695
2-(4-Methyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-amine
CID 12700151
2-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71757538
N-ethyl-N'-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 143251444
2-[(2Z,4Z)-2-(1-fluoroethenyl)hexa-2,4-dienyl]piperazine
CID 143269798
(2Z,4Z)-9-(2-fluoro-2-methylpropyl)-6-methylidene-1,7,8,10-tetrahydropyrido[3,4-b]azocine
CID 154987711
5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridin-3-amine
CID 169033605
1-[(2,4-Difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine
CID 170070494
N'-(2-cyclohexa-1,4-dien-1-ylethyl)ethane-1,2-diamine
CID 91033379
p-Dimethyl-aminobenzyldiethylamine
CID 129806686
N'-[4-(cyclohexa-1,3-dien-1-ylmethylamino)butyl]butane-1,4-diamine
CID 44398246
(5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine
CID 142063945

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine (CID 141086248) is N'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)CC1=CC=CCC1.
What is the InChIKey of N'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is BYJXARJPLRPFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-12-8-9-13(2)10-11-6-4-3-5-7-11/h3-4,6,12H,5,7-10H2,1-2H3.
What are the key properties of N'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine?
N'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 180.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexa-1,3-dien-1-ylmethyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 141086248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).