N'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine

C10H16N2 — CID 143615681

IUPACN'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine
SMILESCNCCNC1=CC=CC=CC1
InChIInChI=1S/C10H16N2/c1-11-8-9-12-10-6-4-2-3-5-7-10/h2-6,11-12H,7-9H2,1H3
InChIKeyBAYMWASYCBTEGY-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.20
Rot. Bonds4

About N'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine

N'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine (PubChem CID 143615681) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine
PubChem CID143615681
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine
SMILESCNCCNC1=CC=CC=CC1
InChIInChI=1S/C10H16N2/c1-11-8-9-12-10-6-4-2-3-5-7-10/h2-6,11-12H,7-9H2,1H3
InChIKeyBAYMWASYCBTEGY-UHFFFAOYSA-N
XLogP1.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tetrahydro 5h cycloheptapyrazine
CID 129802376
5-ethyl-1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-N,2-dimethyl-3H-pyrazol-4-amine
CID 134424280
N-ethyl-4-fluorocyclohepta-1,3,5-trien-1-amine
CID 143106717
(2E,5E)-6-fluoro-N-propylocta-2,5,7-trien-2-amine
CID 143108367
2-fluoro-1-N-methyl-1-N-[2-(methylamino)ethyl]cyclohepta-2,4,7-triene-1,4-diamine
CID 143599143
N-(2-aminoethyl)-N'-[(3E)-2-fluorohepta-1,3-dien-4-yl]butane-1,4-diamine
CID 155072707
N'-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propylethane-1,2-diamine
CID 164024673
1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine
CID 100978369
N'-ethyl-N'-fluoro-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]ethane-1,2-diamine
CID 143566944
N-butylcyclopenta-1,3-dien-1-amine
CID 15861820
2-prop-2-enyl-1H-azepine
CID 66883472
N-propylcyclopenta-1,3-dien-1-amine
CID 67050853

Frequently Asked Questions

What is the IUPAC name of N'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine?
The IUPAC name of N'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine (CID 143615681) is N'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine is CNCCNC1=CC=CC=CC1.
What is the InChIKey of N'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine?
The InChIKey is BAYMWASYCBTEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-11-8-9-12-10-6-4-2-3-5-7-10/h2-6,11-12H,7-9H2,1H3.
What are the key properties of N'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine?
N'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohepta-1,3,5-trien-1-yl-N-methylethane-1,2-diamine is sourced from PubChem (CID 143615681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).