N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine

C10H16N2 — CID 90904599

IUPACN-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine
SMILESC=C/C(C)=C/C1=NC1N(C)CC
InChIInChI=1S/C10H16N2/c1-5-8(3)7-9-10(11-9)12(4)6-2/h5,7,10H,1,6H2,2-4H3/b8-7+
InChIKeyNVNLYBYZSGBVNV-BQYQJAHWSA-N
MW164.25 g/mol
LogP1.85
Rot. Bonds4

About N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine

N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine (PubChem CID 90904599) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine
PubChem CID90904599
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine
SMILESC=C/C(C)=C/C1=NC1N(C)CC
InChIInChI=1S/C10H16N2/c1-5-8(3)7-9-10(11-9)12(4)6-2/h5,7,10H,1,6H2,2-4H3/b8-7+
InChIKeyNVNLYBYZSGBVNV-BQYQJAHWSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 21097600
(4-Methylidenecyclohexa-2,5-dien-1-ylidene)-dipropylazanium
CID 59057566
N-methyl-N-[(1E,3E)-2-methyl-1-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine
CID 88224957
N-methyl-N-[2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine
CID 90995027
N,N-dimethyl-1-[[(3Z)-3-methylhexa-3,5-dien-2-ylidene]amino]ethanamine
CID 123661365
N,7-dimethyl-6-[(Z)-prop-1-enyl]-N-propyl-2H-1,4-diazepin-5-amine
CID 170275189
N-methyl-N-[(1E,3E)-2-methyl-1-[(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]penta-1,3-dienyl]cyclopropanamine
CID 173283600
diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium
CID 18692736
Diethyl-(4-penta-2,4-dienylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 73457056
Dibutyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 143983051

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine?
The IUPAC name of N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine (CID 90904599) is N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine.
What is the SMILES notation for N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine?
The canonical SMILES for N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine is C=C/C(C)=C/C1=NC1N(C)CC.
What is the InChIKey of N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine?
The InChIKey is NVNLYBYZSGBVNV-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-8(3)7-9-10(11-9)12(4)6-2/h5,7,10H,1,6H2,2-4H3/b8-7+.
What are the key properties of N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine?
N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine has a molecular weight of 164.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-[(1E)-2-methylbuta-1,3-dienyl]-2H-azirin-2-amine is sourced from PubChem (CID 90904599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).